(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol

C18H29NO — CID 102610255

IUPAC(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
SMILESCCCC1CCC(N[C@H](CO)Cc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-2-6-15-9-11-17(12-10-15)19-18(14-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-20H,2,6,9-14H2,1H3/t15?,17?,18-/m0/s1
InChIKeyBXMNXOZWQONYGJ-VJFUWPCTSA-N
MW275.44 g/mol
LogP3.54
Rot. Bonds7

About (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol

(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol (PubChem CID 102610255) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
PubChem CID102610255
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol
SMILESCCCC1CCC(N[C@H](CO)Cc2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-2-6-15-9-11-17(12-10-15)19-18(14-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-20H,2,6,9-14H2,1H3/t15?,17?,18-/m0/s1
InChIKeyBXMNXOZWQONYGJ-VJFUWPCTSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol?
The IUPAC name of (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol (CID 102610255) is (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol is CCCC1CCC(N[C@H](CO)Cc2ccccc2)CC1.
What is the InChIKey of (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol?
The InChIKey is BXMNXOZWQONYGJ-VJFUWPCTSA-N. The full InChI is InChI=1S/C18H29NO/c1-2-6-15-9-11-17(12-10-15)19-18(14-20)13-16-7-4-3-5-8-16/h3-5,7-8,15,17-20H,2,6,9-14H2,1H3/t15?,17?,18-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol?
(2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[(4-propylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 102610255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).