1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine

C14H19BrClN — CID 114981468

IUPAC1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1Cl)C1CCCCC1
InChIInChI=1S/C14H19BrClN/c1-17-14(10-6-3-2-4-7-10)11-8-5-9-12(15)13(11)16/h5,8-10,14,17H,2-4,6-7H2,1H3
InChIKeyPBQLNHYRSXWURH-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.94
Rot. Bonds3

About 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine

1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine (PubChem CID 114981468) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
PubChem CID114981468
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1Cl)C1CCCCC1
InChIInChI=1S/C14H19BrClN/c1-17-14(10-6-3-2-4-7-10)11-8-5-9-12(15)13(11)16/h5,8-10,14,17H,2-4,6-7H2,1H3
InChIKeyPBQLNHYRSXWURH-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
CID 107103005
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-cycloheptyl-1-(2-ethylphenyl)-N-methylmethanamine
CID 105027920
(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 130612686
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 115778747
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine (CID 114981468) is 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine is CNC(c1cccc(Br)c1Cl)C1CCCCC1.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine?
The InChIKey is PBQLNHYRSXWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-17-14(10-6-3-2-4-7-10)11-8-5-9-12(15)13(11)16/h5,8-10,14,17H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine?
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine has a molecular weight of 316.67 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 114981468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).