N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

C18H27BrN2 — CID 79536151

IUPACN-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C1CCCN1)c1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-13(14-7-2-4-9-16(14)19)21-18-10-5-3-8-15(18)17-11-6-12-20-17/h2,4,7,9,13,15,17-18,20-21H,3,5-6,8,10-12H2,1H3
InChIKeySXJUQJMXHCCGEF-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.41
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79536151) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79536151
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCC(NC1CCCCC1C1CCCN1)c1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-13(14-7-2-4-9-16(14)19)21-18-10-5-3-8-15(18)17-11-6-12-20-17/h2,4,7,9,13,15,17-18,20-21H,3,5-6,8,10-12H2,1H3
InChIKeySXJUQJMXHCCGEF-UHFFFAOYSA-N
XLogP4.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81374734
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761
N-[(1S)-1-(3-methylphenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 81369615
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81382952
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79535964
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81367096
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79536151) is N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is CC(NC1CCCCC1C1CCCN1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is SXJUQJMXHCCGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-13(14-7-2-4-9-16(14)19)21-18-10-5-3-8-15(18)17-11-6-12-20-17/h2,4,7,9,13,15,17-18,20-21H,3,5-6,8,10-12H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 351.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79536151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).