N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine

C17H26BrN — CID 114981055

IUPACN-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1C)C1CCCCC1
InChIInChI=1S/C17H26BrN/c1-3-12-19-17(14-8-5-4-6-9-14)15-10-7-11-16(18)13(15)2/h7,10-11,14,17,19H,3-6,8-9,12H2,1-2H3
InChIKeyMUCWYGZRSFLUNF-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.38
Rot. Bonds5

About N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine

N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine (PubChem CID 114981055) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
PubChem CID114981055
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(Br)c1C)C1CCCCC1
InChIInChI=1S/C17H26BrN/c1-3-12-19-17(14-8-5-4-6-9-14)15-10-7-11-16(18)13(15)2/h7,10-11,14,17,19H,3-6,8-9,12H2,1-2H3
InChIKeyMUCWYGZRSFLUNF-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-2-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855832
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine (CID 114981055) is N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine is CCCNC(c1cccc(Br)c1C)C1CCCCC1.
What is the InChIKey of N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine?
The InChIKey is MUCWYGZRSFLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-12-19-17(14-8-5-4-6-9-14)15-10-7-11-16(18)13(15)2/h7,10-11,14,17,19H,3-6,8-9,12H2,1-2H3.
What are the key properties of N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine?
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine is sourced from PubChem (CID 114981055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).