2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride

C20H34ClNO2 — CID 56924653

IUPAC2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
SMILESCCCC1CCC(c2ccc(CCC(N)(CO)CO)cc2)CC1.Cl
InChIInChI=1S/C20H33NO2.ClH/c1-2-3-16-4-8-18(9-5-16)19-10-6-17(7-11-19)12-13-20(21,14-22)15-23;/h6-7,10-11,16,18,22-23H,2-5,8-9,12-15,21H2,1H3;1H
InChIKeyOXATWCYWBUHXLG-UHFFFAOYSA-N
MW355.95 g/mol
LogP3.80
Rot. Bonds8

About 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride

2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride (PubChem CID 56924653) has the molecular formula C20H34ClNO2 and a molecular weight of 355.95 g/mol. Its IUPAC name is 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
PubChem CID56924653
Molecular FormulaC20H34ClNO2
Molecular Weight355.95 g/mol
Exact Mass355.23
IUPAC Name2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
SMILESCCCC1CCC(c2ccc(CCC(N)(CO)CO)cc2)CC1.Cl
InChIInChI=1S/C20H33NO2.ClH/c1-2-3-16-4-8-18(9-5-16)19-10-6-17(7-11-19)12-13-20(21,14-22)15-23;/h6-7,10-11,16,18,22-23H,2-5,8-9,12-15,21H2,1H3;1H
InChIKeyOXATWCYWBUHXLG-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.95
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride 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

1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-[(E)-prop-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991361
1,13-bis[4-(4-propylcyclohexyl)phenyl]tridecan-7-one
CID 70445108
1-[(E)-1-fluoropent-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 70030132
1-[(Z)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22941704
1-[(E)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991563
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride?
The IUPAC name of 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride (CID 56924653) is 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride?
The canonical SMILES for 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride is CCCC1CCC(c2ccc(CCC(N)(CO)CO)cc2)CC1.Cl.
What is the InChIKey of 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride?
The InChIKey is OXATWCYWBUHXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2.ClH/c1-2-3-16-4-8-18(9-5-16)19-10-6-17(7-11-19)12-13-20(21,14-22)15-23;/h6-7,10-11,16,18,22-23H,2-5,8-9,12-15,21H2,1H3;1H.
What are the key properties of 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride?
2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]propane-1,3-diol;hydrochloride is sourced from PubChem (CID 56924653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).