N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine

C17H26BrN — CID 43223922

IUPACN-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC(CC)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrN/c1-3-13-5-11-16(12-6-13)19-17(4-2)14-7-9-15(18)10-8-14/h7-10,13,16-17,19H,3-6,11-12H2,1-2H3
InChIKeyWUFMLIDREDKVTL-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.46
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine

N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine (PubChem CID 43223922) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
PubChem CID43223922
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(NC(CC)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H26BrN/c1-3-13-5-11-16(12-6-13)19-17(4-2)14-7-9-15(18)10-8-14/h7-10,13,16-17,19H,3-6,11-12H2,1-2H3
InChIKeyWUFMLIDREDKVTL-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122786
N-[1-(4-bromophenyl)propyl]-3-methoxycyclopentan-1-amine
CID 103080693
N-[1-(3,4-dichlorophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 63454246
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80705179
N-[1-(4-bromophenyl)propyl]thian-3-amine
CID 62872897
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
CID 63454990
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine (CID 43223922) is N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine is CCC1CCC(NC(CC)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine?
The InChIKey is WUFMLIDREDKVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-13-5-11-16(12-6-13)19-17(4-2)14-7-9-15(18)10-8-14/h7-10,13,16-17,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine?
N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 43223922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).