N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine

C14H20BrN — CID 43178720

IUPACN-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cccc(Br)c1
InChIInChI=1S/C14H20BrN/c1-11-5-2-3-8-14(11)16-10-12-6-4-7-13(15)9-12/h4,6-7,9,11,14,16H,2-3,5,8,10H2,1H3
InChIKeyHOLGQEAAQRZXPL-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.12
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine

N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 43178720) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID43178720
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1cccc(Br)c1
InChIInChI=1S/C14H20BrN/c1-11-5-2-3-8-14(11)16-10-12-6-4-7-13(15)9-12/h4,6-7,9,11,14,16H,2-3,5,8,10H2,1H3
InChIKeyHOLGQEAAQRZXPL-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
N-[[3-(difluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115526581
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
2-methyl-N-[(3-propoxyphenyl)methyl]cyclohexan-1-amine
CID 55199783
3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 103251324
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
1-N-methyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 170325151
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine (CID 43178720) is N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is HOLGQEAAQRZXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11-5-2-3-8-14(11)16-10-12-6-4-7-13(15)9-12/h4,6-7,9,11,14,16H,2-3,5,8,10H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine?
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43178720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).