[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine

C16H24BrN — CID 81012573

IUPAC[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrN/c1-2-12-3-6-14(11-18)15(9-12)10-13-4-7-16(17)8-5-13/h4-5,7-8,12,14-15H,2-3,6,9-11,18H2,1H3
InChIKeyQVRIIDSUESVOJA-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.39
Rot. Bonds4

About [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine

[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 81012573) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID81012573
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C16H24BrN/c1-2-12-3-6-14(11-18)15(9-12)10-13-4-7-16(17)8-5-13/h4-5,7-8,12,14-15H,2-3,6,9-11,18H2,1H3
InChIKeyQVRIIDSUESVOJA-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81011476
[2-[(4-bromophenyl)methyl]cyclohexyl]methanamine
CID 81011021
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445
[2-[(4-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011643
[2-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexyl]methanamine
CID 81012326
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
1-bromo-4-[[(1R,2S)-2-methylcyclopropyl]methyl]benzene
CID 160773433
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012327
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine (CID 81012573) is [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(Cc2ccc(Br)cc2)C1.
What is the InChIKey of [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is QVRIIDSUESVOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-12-3-6-14(11-18)15(9-12)10-13-4-7-16(17)8-5-13/h4-5,7-8,12,14-15H,2-3,6,9-11,18H2,1H3.
What are the key properties of [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine?
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 310.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 81012573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).