2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine

C15H23BrN2 — CID 81354238

IUPAC2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1CN)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17/h6-9,11,13,15,18H,2-5,10,17H2,1H3/t11-,13?,15?/m0/s1
InChIKeyNTHJLFKEKIOBFF-ZOODHJKOSA-N
MW311.27 g/mol
LogP3.62
Rot. Bonds4

About 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine

2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine (PubChem CID 81354238) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine
PubChem CID81354238
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1CN)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17/h6-9,11,13,15,18H,2-5,10,17H2,1H3/t11-,13?,15?/m0/s1
InChIKeyNTHJLFKEKIOBFF-ZOODHJKOSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-(aminomethyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402190
2-(aminomethyl)-N-[(1R)-1-(furan-2-yl)ethyl]cyclohexan-1-amine
CID 81403207
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867
N-[(1R)-1-(4-bromophenyl)ethyl]-2-methylthian-3-amine
CID 81353696
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
2-(aminomethyl)-N-[(1S)-1-(furan-2-yl)ethyl]cyclopentan-1-amine
CID 81403374
[2-[1-(4-methylsulfanylphenyl)ethylamino]cyclohexyl]methanol
CID 103717066

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine (CID 81354238) is 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine is C[C@H](NC1CCCCC1CN)c1ccc(Br)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is NTHJLFKEKIOBFF-ZOODHJKOSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(12-6-8-14(16)9-7-12)18-15-5-3-2-4-13(15)10-17/h6-9,11,13,15,18H,2-5,10,17H2,1H3/t11-,13?,15?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine?
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81354238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).