3-phenyl-N-(1-phenylethyl)hexan-1-amine

C20H27N — CID 139750954

IUPAC3-phenyl-N-(1-phenylethyl)hexan-1-amine
SMILESCCCC(CCNC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-3-10-19(20-13-8-5-9-14-20)15-16-21-17(2)18-11-6-4-7-12-18/h4-9,11-14,17,19,21H,3,10,15-16H2,1-2H3
InChIKeyMNOSCZLFVIRGKM-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.31
Rot. Bonds8

About 3-phenyl-N-(1-phenylethyl)hexan-1-amine

3-phenyl-N-(1-phenylethyl)hexan-1-amine (PubChem CID 139750954) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-phenyl-N-(1-phenylethyl)hexan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(1-phenylethyl)hexan-1-amine
PubChem CID139750954
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-phenyl-N-(1-phenylethyl)hexan-1-amine
SMILESCCCC(CCNC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-3-10-19(20-13-8-5-9-14-20)15-16-21-17(2)18-11-6-4-7-12-18/h4-9,11-14,17,19,21H,3,10,15-16H2,1-2H3
InChIKeyMNOSCZLFVIRGKM-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-N-(1-phenylethyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
(3R)-6-methyl-N-[(1S)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)heptan-1-amine
CID 7714603
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
CID 54806910
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
(2R)-2-(2-phenylpentylamino)propan-1-ol
CID 103920553
1,1-diphenylhexan-3-ylbenzene
CID 57087261
1-chloropentan-2-ylbenzene
CID 524326

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-phenylethyl)hexan-1-amine?
The IUPAC name of 3-phenyl-N-(1-phenylethyl)hexan-1-amine (CID 139750954) is 3-phenyl-N-(1-phenylethyl)hexan-1-amine.
What is the SMILES notation for 3-phenyl-N-(1-phenylethyl)hexan-1-amine?
The canonical SMILES for 3-phenyl-N-(1-phenylethyl)hexan-1-amine is CCCC(CCNC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(1-phenylethyl)hexan-1-amine?
The InChIKey is MNOSCZLFVIRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-10-19(20-13-8-5-9-14-20)15-16-21-17(2)18-11-6-4-7-12-18/h4-9,11-14,17,19,21H,3,10,15-16H2,1-2H3.
What are the key properties of 3-phenyl-N-(1-phenylethyl)hexan-1-amine?
3-phenyl-N-(1-phenylethyl)hexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-phenylethyl)hexan-1-amine is sourced from PubChem (CID 139750954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).