3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine

C26H28ClNO3 — CID 10113997

IUPAC3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
SMILESClc1cccc(OCCCNCC2CCc3ccc(OCc4ccccc4)cc3O2)c1
InChIInChI=1S/C26H28ClNO3/c27-22-8-4-9-23(16-22)29-15-5-14-28-18-25-13-11-21-10-12-24(17-26(21)31-25)30-19-20-6-2-1-3-7-20/h1-4,6-10,12,16-17,25,28H,5,11,13-15,18-19H2
InChIKeySIWLXYFILXUBGJ-UHFFFAOYSA-N
MW437.97 g/mol
LogP5.67
Rot. Bonds10

About 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine

3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine (PubChem CID 10113997) has the molecular formula C26H28ClNO3 and a molecular weight of 437.97 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
PubChem CID10113997
Molecular FormulaC26H28ClNO3
Molecular Weight437.97 g/mol
Exact Mass437.18
IUPAC Name3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
SMILESClc1cccc(OCCCNCC2CCc3ccc(OCc4ccccc4)cc3O2)c1
InChIInChI=1S/C26H28ClNO3/c27-22-8-4-9-23(16-22)29-15-5-14-28-18-25-13-11-21-10-12-24(17-26(21)31-25)30-19-20-6-2-1-3-7-20/h1-4,6-10,12,16-17,25,28H,5,11,13-15,18-19H2
InChIKeySIWLXYFILXUBGJ-UHFFFAOYSA-N
XLogP5.67
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
N-benzyl-1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanamine;2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene;methane;phenylmethanamine;hydrochloride
CID 158865969
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carbaldehyde;(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanol
CID 159424302
1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
CID 173250848
bis[2-[(pentylamino)methyl]-3,4-dihydro-2H-chromen-7-yl] oxalate
CID 70054549
4-ethoxy-1-[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]butan-2-amine
CID 91508008
2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10783507
N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
CID 10805476
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
CID 70052978

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine (CID 10113997) is 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine is Clc1cccc(OCCCNCC2CCc3ccc(OCc4ccccc4)cc3O2)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine?
The InChIKey is SIWLXYFILXUBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClNO3/c27-22-8-4-9-23(16-22)29-15-5-14-28-18-25-13-11-21-10-12-24(17-26(21)31-25)30-19-20-6-2-1-3-7-20/h1-4,6-10,12,16-17,25,28H,5,11,13-15,18-19H2.
What are the key properties of 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine?
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine has a molecular weight of 437.97 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 10113997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).