N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine

C14H19BrClN — CID 106123141

IUPACN-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
SMILESClC1CCC(CNCc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrClN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-2,5-6,12,14,17H,3-4,7-10H2
InChIKeyBDAQYQICZPBYRT-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine

N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine (PubChem CID 106123141) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
PubChem CID106123141
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
SMILESClC1CCC(CNCc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrClN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-2,5-6,12,14,17H,3-4,7-10H2
InChIKeyBDAQYQICZPBYRT-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
[4-[(cyclopropylmethylamino)methyl]phenyl]methanol
CID 83962663
N-[(4-bromophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131239
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123711
5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
CID 106133378
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5005578
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
2-[[(4-bromophenyl)methylamino]methyl]pyrrolidine-1-carboxylic acid
CID 172788960
1-cyclopropyl-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 167733766
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine (CID 106123141) is N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine is ClC1CCC(CNCc2ccc(Br)cc2)CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine?
The InChIKey is BDAQYQICZPBYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c15-13-5-1-11(2-6-13)9-17-10-12-3-7-14(16)8-4-12/h1-2,5-6,12,14,17H,3-4,7-10H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine?
N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine has a molecular weight of 316.67 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine is sourced from PubChem (CID 106123141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).