2-(heptylamino)-3-phenylpropan-1-ol

C16H27NO — CID 63260589

IUPAC2-(heptylamino)-3-phenylpropan-1-ol
SMILESCCCCCCCNC(CO)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-9-12-17-16(14-18)13-15-10-7-6-8-11-15/h6-8,10-11,16-18H,2-5,9,12-14H2,1H3
InChIKeyCNAHEMBMAZCAIZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds10

About 2-(heptylamino)-3-phenylpropan-1-ol

2-(heptylamino)-3-phenylpropan-1-ol (PubChem CID 63260589) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-(heptylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(heptylamino)-3-phenylpropan-1-ol
PubChem CID63260589
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-(heptylamino)-3-phenylpropan-1-ol
SMILESCCCCCCCNC(CO)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-2-3-4-5-9-12-17-16(14-18)13-15-10-7-6-8-11-15/h6-8,10-11,16-18H,2-5,9,12-14H2,1H3
InChIKeyCNAHEMBMAZCAIZ-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(heptylamino)-3-phenylpropan-1-ol 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

(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-octylthiourea
CID 142665779
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-octylthiourea
CID 142665778
1-dodecyl-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiourea
CID 142665776
2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol
CID 55168818
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
methyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanoate
CID 55169386
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273

Frequently Asked Questions

What is the IUPAC name of 2-(heptylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(heptylamino)-3-phenylpropan-1-ol (CID 63260589) is 2-(heptylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(heptylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(heptylamino)-3-phenylpropan-1-ol is CCCCCCCNC(CO)Cc1ccccc1.
What is the InChIKey of 2-(heptylamino)-3-phenylpropan-1-ol?
The InChIKey is CNAHEMBMAZCAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-4-5-9-12-17-16(14-18)13-15-10-7-6-8-11-15/h6-8,10-11,16-18H,2-5,9,12-14H2,1H3.
What are the key properties of 2-(heptylamino)-3-phenylpropan-1-ol?
2-(heptylamino)-3-phenylpropan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 63260589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).