2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol

C11H16ClNO2 — CID 65315422

IUPAC2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c1-8(13-11(6-14)7-15)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3
InChIKeyCCNNMWZGWNAFDJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol

2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol (PubChem CID 65315422) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
PubChem CID65315422
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO2/c1-8(13-11(6-14)7-15)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3
InChIKeyCCNNMWZGWNAFDJ-UHFFFAOYSA-N
XLogP1.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol 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

(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]benzonitrile
CID 65310365
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-methylhexan-2-amine
CID 81357194
N-[1-(4-chlorophenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115899225
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-2-ol
CID 81352452
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
2-[[(4-chlorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 86784049

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol (CID 65315422) is 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol is CC(NC(CO)CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol?
The InChIKey is CCNNMWZGWNAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-8(13-11(6-14)7-15)9-2-4-10(12)5-3-9/h2-5,8,11,13-15H,6-7H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol?
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol has a molecular weight of 229.71 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 65315422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).