N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine

C17H26BrN — CID 55020965

IUPACN-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C17H26BrN/c1-2-11-19-17(15-8-4-3-5-9-15)13-14-7-6-10-16(18)12-14/h6-7,10,12,15,17,19H,2-5,8-9,11,13H2,1H3
InChIKeyUYXJACYWTZMKHE-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.94
Rot. Bonds6

About N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine

N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine (PubChem CID 55020965) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
PubChem CID55020965
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C17H26BrN/c1-2-11-19-17(15-8-4-3-5-9-15)13-14-7-6-10-16(18)12-14/h6-7,10,12,15,17,19H,2-5,8-9,11,13H2,1H3
InChIKeyUYXJACYWTZMKHE-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
[2-(3-bromophenyl)-1-cyclobutylethyl]hydrazine
CID 105202856
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
CID 63417125
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
N-[2-(3-chloro-4-fluorophenyl)-1-cyclohexylethyl]propan-1-amine
CID 103039853
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
2-(3-bromophenyl)-1-cycloheptylethanol
CID 63519836
2-(3-bromophenyl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 63414740

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine (CID 55020965) is N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine?
The InChIKey is UYXJACYWTZMKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-11-19-17(15-8-4-3-5-9-15)13-14-7-6-10-16(18)12-14/h6-7,10,12,15,17,19H,2-5,8-9,11,13H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 55020965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).