2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine

C17H19BrClNO — CID 63496704

IUPAC2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(Cl)cc1CC(CN)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-21-17-6-5-16(19)10-14(17)8-13(11-20)7-12-3-2-4-15(18)9-12/h2-6,9-10,13H,7-8,11,20H2,1H3
InChIKeyGLRDYXKXFHOJBI-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.47
Rot. Bonds6

About 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine

2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine (PubChem CID 63496704) has the molecular formula C17H19BrClNO and a molecular weight of 368.70 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
PubChem CID63496704
Molecular FormulaC17H19BrClNO
Molecular Weight368.70 g/mol
Exact Mass367.03
IUPAC Name2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(Cl)cc1CC(CN)Cc1cccc(Br)c1
InChIInChI=1S/C17H19BrClNO/c1-21-17-6-5-16(19)10-14(17)8-13(11-20)7-12-3-2-4-15(18)9-12/h2-6,9-10,13H,7-8,11,20H2,1H3
InChIKeyGLRDYXKXFHOJBI-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[(5-chloro-2-methoxyphenyl)methyl]-3-(4-fluorophenyl)propan-1-amine
CID 62530368
4-bromo-2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1-methoxybenzene
CID 66041326
4-chloro-2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 66048357
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
2-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-1-methoxy-4-methylbenzene
CID 66043726
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
2-bromo-4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1-methoxybenzene
CID 66050769
2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
CID 66034057
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine (CID 63496704) is 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine is COc1ccc(Cl)cc1CC(CN)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine?
The InChIKey is GLRDYXKXFHOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClNO/c1-21-17-6-5-16(19)10-14(17)8-13(11-20)7-12-3-2-4-15(18)9-12/h2-6,9-10,13H,7-8,11,20H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine?
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine has a molecular weight of 368.70 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 63496704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).