N-(2-phenylethyl)octan-4-amine

C16H27N — CID 11128217

IUPACN-(2-phenylethyl)octan-4-amine
SMILESCCCCC(CCC)NCCc1ccccc1
InChIInChI=1S/C16H27N/c1-3-5-12-16(9-4-2)17-14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3
InChIKeyPIBDUQCEMMRJHK-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.18
Rot. Bonds9

About N-(2-phenylethyl)octan-4-amine

N-(2-phenylethyl)octan-4-amine (PubChem CID 11128217) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(2-phenylethyl)octan-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)octan-4-amine
PubChem CID11128217
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(2-phenylethyl)octan-4-amine
SMILESCCCCC(CCC)NCCc1ccccc1
InChIInChI=1S/C16H27N/c1-3-5-12-16(9-4-2)17-14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3
InChIKeyPIBDUQCEMMRJHK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]octan-4-amine
CID 106024444
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
1-phenyl-N-propan-2-ylheptan-3-amine
CID 13159413
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
N-octan-4-ylaniline
CID 12779854
N-benzyltridecan-6-amine
CID 166644944
2-(2-phenylethylamino)butan-1-ol
CID 17157372
N-(4-phenylbutyl)hexan-2-amine
CID 114333315
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-pentyloctan-4-amine
CID 106023306
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)octan-4-amine?
The IUPAC name of N-(2-phenylethyl)octan-4-amine (CID 11128217) is N-(2-phenylethyl)octan-4-amine.
What is the SMILES notation for N-(2-phenylethyl)octan-4-amine?
The canonical SMILES for N-(2-phenylethyl)octan-4-amine is CCCCC(CCC)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)octan-4-amine?
The InChIKey is PIBDUQCEMMRJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-5-12-16(9-4-2)17-14-13-15-10-7-6-8-11-15/h6-8,10-11,16-17H,3-5,9,12-14H2,1-2H3.
What are the key properties of N-(2-phenylethyl)octan-4-amine?
N-(2-phenylethyl)octan-4-amine has a molecular weight of 233.40 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)octan-4-amine is sourced from PubChem (CID 11128217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).