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

C17H26BrN — CID 105401447

IUPACN-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C17H26BrN/c1-3-4-14-7-9-16(10-8-14)19-12-15-6-5-13(2)17(18)11-15/h5-6,11,14,16,19H,3-4,7-10,12H2,1-2H3
InChIKeyUBHYXHCAKUSHRJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.21
Rot. Bonds5

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

N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 105401447) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID105401447
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C17H26BrN/c1-3-4-14-7-9-16(10-8-14)19-12-15-6-5-13(2)17(18)11-15/h5-6,11,14,16,19H,3-4,7-10,12H2,1-2H3
InChIKeyUBHYXHCAKUSHRJ-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412
4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962641
N-[[3-methyl-4-(4-propylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 63552895
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
4-propyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexan-1-amine
CID 103437694
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
N-[(3-bromo-4-methylphenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 105401359
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
2-fluoro-5-[[(4-propylcyclohexyl)amino]methyl]benzonitrile
CID 107880140
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine (CID 105401447) is N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2ccc(C)c(Br)c2)CC1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is UBHYXHCAKUSHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-4-14-7-9-16(10-8-14)19-12-15-6-5-13(2)17(18)11-15/h5-6,11,14,16,19H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine?
N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 105401447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).