1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine

C19H24BrNO2 — CID 126483906

IUPAC1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
SMILESCCC(N)CCc1cc(OCc2ccccc2)c(OC)cc1Br
InChIInChI=1S/C19H24BrNO2/c1-3-16(21)10-9-15-11-19(18(22-2)12-17(15)20)23-13-14-7-5-4-6-8-14/h4-8,11-12,16H,3,9-10,13,21H2,1-2H3
InChIKeyFORQQDKOEVWTPJ-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.71
Rot. Bonds8

About 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine

1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine (PubChem CID 126483906) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
PubChem CID126483906
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC Name1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
SMILESCCC(N)CCc1cc(OCc2ccccc2)c(OC)cc1Br
InChIInChI=1S/C19H24BrNO2/c1-3-16(21)10-9-15-11-19(18(22-2)12-17(15)20)23-13-14-7-5-4-6-8-14/h4-8,11-12,16H,3,9-10,13,21H2,1-2H3
InChIKeyFORQQDKOEVWTPJ-UHFFFAOYSA-N
XLogP4.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-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

1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 66534366
ethyl (E)-4-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)but-2-enoate
CID 71713736
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
CID 7454835
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66532263
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine?
The IUPAC name of 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine (CID 126483906) is 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine?
The canonical SMILES for 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine is CCC(N)CCc1cc(OCc2ccccc2)c(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine?
The InChIKey is FORQQDKOEVWTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO2/c1-3-16(21)10-9-15-11-19(18(22-2)12-17(15)20)23-13-14-7-5-4-6-8-14/h4-8,11-12,16H,3,9-10,13,21H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine?
1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine has a molecular weight of 378.31 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine is sourced from PubChem (CID 126483906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).