N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine

C17H24BrN — CID 64624415

IUPACN-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESCC(NC1CCCC(C2CC2)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN/c1-12(13-7-9-16(18)10-8-13)19-17-4-2-3-15(11-17)14-5-6-14/h7-10,12,14-15,17,19H,2-6,11H2,1H3
InChIKeyBDBGYZWWCDIQMV-UHFFFAOYSA-N
MW322.29 g/mol
LogP5.07
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine

N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 64624415) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID64624415
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESCC(NC1CCCC(C2CC2)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrN/c1-12(13-7-9-16(18)10-8-13)19-17-4-2-3-15(11-17)14-5-6-14/h7-10,12,14-15,17,19H,2-6,11H2,1H3
InChIKeyBDBGYZWWCDIQMV-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
CID 64593706
N-[1-(4-bromophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43215999
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
3-[1-(4-bromophenyl)ethylamino]cyclohexan-1-ol
CID 43751203
N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxycyclohexan-1-amine
CID 81359504
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 114985913
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine (CID 64624415) is N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine is CC(NC1CCCC(C2CC2)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is BDBGYZWWCDIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN/c1-12(13-7-9-16(18)10-8-13)19-17-4-2-3-15(11-17)14-5-6-14/h7-10,12,14-15,17,19H,2-6,11H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 322.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 64624415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).