N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

C18H22BrN — CID 60818106

IUPACN-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN/c1-3-11-20-18(16-7-9-17(19)10-8-16)13-15-6-4-5-14(2)12-15/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyZRGMNPCLORLZNQ-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.04
Rot. Bonds6

About N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 60818106) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID60818106
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H22BrN/c1-3-11-20-18(16-7-9-17(19)10-8-16)13-15-6-4-5-14(2)12-15/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyZRGMNPCLORLZNQ-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 63478154
N-[1-(3-bromo-5-methylthiophen-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 65278683
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 103039790
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 60818106) is N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ZRGMNPCLORLZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-11-20-18(16-7-9-17(19)10-8-16)13-15-6-4-5-14(2)12-15/h4-10,12,18,20H,3,11,13H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 332.29 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60818106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).