(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

C16H24BrN — CID 81378377

IUPAC(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CN[C@H](C)c2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-6,12-14,18H,7-11H2,1-2H3/t12?,13-,14?/m1/s1
InChIKeySUKWNJIHPRJTER-ROKHWSDSSA-N
MW310.28 g/mol
LogP4.93
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (PubChem CID 81378377) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
PubChem CID81378377
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCC(CN[C@H](C)c2ccccc2Br)CC1
InChIInChI=1S/C16H24BrN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-6,12-14,18H,7-11H2,1-2H3/t12?,13-,14?/m1/s1
InChIKeySUKWNJIHPRJTER-ROKHWSDSSA-N
XLogP4.93
TPSA12.03 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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[1-(2-bromophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 114146962
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
1-(2-bromophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625440
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
(1S)-1-(2-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132284
1-(2-bromophenyl)-N-(thian-3-ylmethyl)ethanamine
CID 114282776
1-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 61240469
1-(2-bromophenyl)-N-[2-(cyclopropylmethoxy)ethyl]ethanamine
CID 113234990
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
1-(4-bromo-2-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 82963551

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine (CID 81378377) is (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is CC1CCC(CN[C@H](C)c2ccccc2Br)CC1.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
The InChIKey is SUKWNJIHPRJTER-ROKHWSDSSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-6,12-14,18H,7-11H2,1-2H3/t12?,13-,14?/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81378377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).