1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine

C16H25BrN2 — CID 79066288

IUPAC1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C16H25BrN2/c1-19(2)16(9-4-3-5-10-16)15(18)12-13-7-6-8-14(17)11-13/h6-8,11,15H,3-5,9-10,12,18H2,1-2H3
InChIKeyVYBXQPFEIFDKHV-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066288) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066288
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)Cc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C16H25BrN2/c1-19(2)16(9-4-3-5-10-16)15(18)12-13-7-6-8-14(17)11-13/h6-8,11,15H,3-5,9-10,12,18H2,1-2H3
InChIKeyVYBXQPFEIFDKHV-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-amino-2-(3-methoxyphenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066060
1-[1-amino-2-(4-iodophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081776
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-[2-(3-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243659
2-(3-bromophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769029
1-[1-amino-2-(furan-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 83183452
1-(1-amino-2-thiophen-3-ylethyl)-N,N-dimethylcyclopentan-1-amine
CID 79069750
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66476339

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79066288) is 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)Cc2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is VYBXQPFEIFDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-19(2)16(9-4-3-5-10-16)15(18)12-13-7-6-8-14(17)11-13/h6-8,11,15H,3-5,9-10,12,18H2,1-2H3.
What are the key properties of 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).