N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine

C17H19BrClNO — CID 43494447

IUPACN-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-3-9-20-17(12-5-4-6-14(18)10-12)13-7-8-16(21-2)15(19)11-13/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyBGGVHGCYFVQEOS-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.20
Rot. Bonds6

About N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine

N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 43494447) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
PubChem CID43494447
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC NameN-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H19BrClNO/c1-3-9-20-17(12-5-4-6-14(18)10-12)13-7-8-16(21-2)15(19)11-13/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyBGGVHGCYFVQEOS-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(3-bromo-4-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 43493872
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[1-(3-bromophenyl)propyl]-3-chloro-4-methoxyaniline
CID 43758118
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
N-[(3-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 65237089
N-[(3-bromophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64990200

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine (CID 43494447) is N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(Br)c1)c1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is BGGVHGCYFVQEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-3-9-20-17(12-5-4-6-14(18)10-12)13-7-8-16(21-2)15(19)11-13/h4-8,10-11,17,20H,3,9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine?
N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 368.70 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(3-chloro-4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).