N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine

C18H28BrN — CID 104987951

IUPACN-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)C1CCC(C)CC1
InChIInChI=1S/C18H28BrN/c1-4-11-20-18(15-7-5-13(2)6-8-15)16-9-10-17(19)14(3)12-16/h9-10,12-13,15,18,20H,4-8,11H2,1-3H3
InChIKeyNDCJORBLHXHHCB-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.62
Rot. Bonds5

About N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine

N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 104987951) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
PubChem CID104987951
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)c(C)c1)C1CCC(C)CC1
InChIInChI=1S/C18H28BrN/c1-4-11-20-18(15-7-5-13(2)6-8-15)16-9-10-17(19)14(3)12-16/h9-10,12-13,15,18,20H,4-8,11H2,1-3H3
InChIKeyNDCJORBLHXHHCB-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[(3-bromo-4-methylphenyl)-(3,5-dimethylcyclohexyl)methyl]propan-1-amine
CID 104989016
N-[(3-bromo-4-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856010
1-(4-bromo-3-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 104994251
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[cyclopropyl-(2,5-dibromo-4-methylphenyl)methyl]propan-1-amine
CID 81474265
N-[(4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 63415910
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[(3-bromo-2,6-difluorophenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 106942372
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine (CID 104987951) is N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Br)c(C)c1)C1CCC(C)CC1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is NDCJORBLHXHHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-4-11-20-18(15-7-5-13(2)6-8-15)16-9-10-17(19)14(3)12-16/h9-10,12-13,15,18,20H,4-8,11H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine?
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 338.33 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 104987951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).