3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine

C14H22BrNO — CID 103075001

IUPAC3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COCc1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-7-16-9-12(2)10-17-11-13-5-4-6-14(15)8-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3
InChIKeyNOMLVAYYORFCDP-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.60
Rot. Bonds8

About 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine

3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine (PubChem CID 103075001) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
PubChem CID103075001
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)COCc1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-7-16-9-12(2)10-17-11-13-5-4-6-14(15)8-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3
InChIKeyNOMLVAYYORFCDP-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-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

N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
3-[(2-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 103075011
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-[(3-bromophenyl)methoxy]-3-(methylamino)propan-2-ol
CID 82828408
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
N-[2-[(3-bromophenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 82825503
2-[(3-bromophenyl)methoxymethyl]butane-1-thiol
CID 82827411
1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 82828085
2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62461288
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
N-[[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 82808402

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine (CID 103075001) is 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine is CCCNCC(C)COCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
The InChIKey is NOMLVAYYORFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-7-16-9-12(2)10-17-11-13-5-4-6-14(15)8-13/h4-6,8,12,16H,3,7,9-11H2,1-2H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine?
3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 103075001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).