N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine

C18H21BrClN — CID 107945601

IUPACN-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Br)c1)c1cccc(C)c1C
InChIInChI=1S/C18H21BrClN/c1-4-8-21-18(14-9-15(19)11-16(20)10-14)17-7-5-6-12(2)13(17)3/h5-7,9-11,18,21H,4,8H2,1-3H3
InChIKeyFXPPSOMMAKDAAV-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.81
Rot. Bonds5

About N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine

N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine (PubChem CID 107945601) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
PubChem CID107945601
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC NameN-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Br)c1)c1cccc(C)c1C
InChIInChI=1S/C18H21BrClN/c1-4-8-21-18(14-9-15(19)11-16(20)10-14)17-7-5-6-12(2)13(17)3/h5-7,9-11,18,21H,4,8H2,1-3H3
InChIKeyFXPPSOMMAKDAAV-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(3-bromo-5-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 107950442
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(2-bromo-3-methylphenyl)-(3-chloro-4-methylphenyl)methyl]propan-1-amine
CID 107985618
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[(2-bromo-4-fluorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 115850260
N-[(3-bromophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64990200
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107945231
N-[(3-bromo-5-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 107947083
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine (CID 107945601) is N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Br)c1)c1cccc(C)c1C.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is FXPPSOMMAKDAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-4-8-21-18(14-9-15(19)11-16(20)10-14)17-7-5-6-12(2)13(17)3/h5-7,9-11,18,21H,4,8H2,1-3H3.
What are the key properties of N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine?
N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 366.73 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chlorophenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 107945601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).