(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine

C15H22BrN — CID 64740034

IUPAC(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2ccc(Br)cc2)CC1C
InChIInChI=1S/C15H22BrN/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h5-8,10-11,13,15H,3-4,9,17H2,1-2H3
InChIKeyMOPLTFXPTBFBRW-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.52
Rot. Bonds2

About (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine

(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine (PubChem CID 64740034) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
PubChem CID64740034
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2ccc(Br)cc2)CC1C
InChIInChI=1S/C15H22BrN/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h5-8,10-11,13,15H,3-4,9,17H2,1-2H3
InChIKeyMOPLTFXPTBFBRW-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylcyclohexyl)-naphthalen-2-ylmethanamine
CID 64738648
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
CID 64738631
(4-chloro-3-fluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 114025177
(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
CID 104989300
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(3,4-dimethylcyclohexyl)-pyrimidin-2-ylmethanamine
CID 64740038
(R)-(6-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 131134352
1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
CID 64738041
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine (CID 64740034) is (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine is CC1CCC(C(N)c2ccc(Br)cc2)CC1C.
What is the InChIKey of (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine?
The InChIKey is MOPLTFXPTBFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-3-4-13(9-11(10)2)15(17)12-5-7-14(16)8-6-12/h5-8,10-11,13,15H,3-4,9,17H2,1-2H3.
What are the key properties of (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine?
(4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine has a molecular weight of 296.25 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(3,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 64740034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).