4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine

C14H21BrN2 — CID 116937274

IUPAC4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2ccccc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-5,10-11,14,17H,6-9,16H2,1H3
InChIKeyUDPSCVZLNDSBIK-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.23
Rot. Bonds3

About 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine

4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116937274) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116937274
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)c2ccccc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-5,10-11,14,17H,6-9,16H2,1H3
InChIKeyUDPSCVZLNDSBIK-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
4-[amino-(2-bromophenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938824
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(S)-(3-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 130612686
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(2-bromo-3-iodophenyl)-cyclopropylmethanamine
CID 130043777
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine (CID 116937274) is 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCC(C(N)c2ccccc2Br)CC1.
What is the InChIKey of 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is UDPSCVZLNDSBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-5,10-11,14,17H,6-9,16H2,1H3.
What are the key properties of 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine?
4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-bromophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116937274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).