3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine

C19H31N — CID 155329136

IUPAC3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine
SMILESCNCCC(C)c1cccc(CCC2CCCCC2)c1
InChIInChI=1S/C19H31N/c1-16(13-14-20-2)19-10-6-9-18(15-19)12-11-17-7-4-3-5-8-17/h6,9-10,15-17,20H,3-5,7-8,11-14H2,1-2H3
InChIKeyQLMQDIZDPLNVTL-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds7

About 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine

3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine (PubChem CID 155329136) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine
PubChem CID155329136
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine
SMILESCNCCC(C)c1cccc(CCC2CCCCC2)c1
InChIInChI=1S/C19H31N/c1-16(13-14-20-2)19-10-6-9-18(15-19)12-11-17-7-4-3-5-8-17/h6,9-10,15-17,20H,3-5,7-8,11-14H2,1-2H3
InChIKeyQLMQDIZDPLNVTL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine?
The IUPAC name of 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine (CID 155329136) is 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine.
What is the SMILES notation for 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine?
The canonical SMILES for 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine is CNCCC(C)c1cccc(CCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine?
The InChIKey is QLMQDIZDPLNVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(13-14-20-2)19-10-6-9-18(15-19)12-11-17-7-4-3-5-8-17/h6,9-10,15-17,20H,3-5,7-8,11-14H2,1-2H3.
What are the key properties of 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine?
3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine is sourced from PubChem (CID 155329136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).