1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine

C20H25NO2 — CID 173250848

IUPAC1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
SMILESCCC(N)CC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C20H25NO2/c1-2-17(21)12-19-11-9-16-8-10-18(13-20(16)23-19)22-14-15-6-4-3-5-7-15/h3-8,10,13,17,19H,2,9,11-12,14,21H2,1H3
InChIKeyFCXYRWBDCMTLJY-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds6

About 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine

1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine (PubChem CID 173250848) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
PubChem CID173250848
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine
SMILESCCC(N)CC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C20H25NO2/c1-2-17(21)12-19-11-9-16-8-10-18(13-20(16)23-19)22-14-15-6-4-3-5-7-15/h3-8,10,13,17,19H,2,9,11-12,14,21H2,1H3
InChIKeyFCXYRWBDCMTLJY-UHFFFAOYSA-N
XLogP4.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-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

4-ethoxy-1-[(2R)-7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl]butan-2-amine
CID 91508008
3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
CID 70052978
2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 10568614
2-(ethoxymethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 67216701
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
7-phenylmethoxy-3,4-dihydro-2H-chromene-2-carbaldehyde;(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanol
CID 159424302
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
7-ethoxy-2-(4-ethoxy-2-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 139828260
2-(2-ethoxy-4-methoxyphenyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene
CID 139828383
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
ethyl 7-[(4-methylphenyl)methoxy]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392783

Frequently Asked Questions

What is the IUPAC name of 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine?
The IUPAC name of 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine (CID 173250848) is 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine?
The canonical SMILES for 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine is CCC(N)CC1CCc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine?
The InChIKey is FCXYRWBDCMTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-2-17(21)12-19-11-9-16-8-10-18(13-20(16)23-19)22-14-15-6-4-3-5-7-15/h3-8,10,13,17,19H,2,9,11-12,14,21H2,1H3.
What are the key properties of 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine?
1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine has a molecular weight of 311.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)butan-2-amine is sourced from PubChem (CID 173250848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).