1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine

C17H27BrN2 — CID 79065996

IUPAC1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(Cc1ccccc1Br)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H27BrN2/c1-19-16(13-14-9-5-6-10-15(14)18)17(20(2)3)11-7-4-8-12-17/h5-6,9-10,16,19H,4,7-8,11-13H2,1-3H3
InChIKeyNASPZYURUHPBOQ-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.84
Rot. Bonds5

About 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79065996) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79065996
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCNC(Cc1ccccc1Br)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H27BrN2/c1-19-16(13-14-9-5-6-10-15(14)18)17(20(2)3)11-7-4-8-12-17/h5-6,9-10,16,19H,4,7-8,11-13H2,1-3H3
InChIKeyNASPZYURUHPBOQ-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-bromophenyl)-N-methyl-1-(1-phenylcyclopropyl)ethanamine
CID 63080919
2-(2-bromophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105087640
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243555
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
CID 79080928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79065996) is 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine is CNC(Cc1ccccc1Br)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is NASPZYURUHPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-19-16(13-14-9-5-6-10-15(14)18)17(20(2)3)11-7-4-8-12-17/h5-6,9-10,16,19H,4,7-8,11-13H2,1-3H3.
What are the key properties of 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79065996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).