1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol

C14H20ClNO2 — CID 55014099

IUPAC1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
SMILESOC(CNCC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c15-12-6-4-11(5-7-12)14(17)10-16-9-13-3-1-2-8-18-13/h4-7,13-14,16-17H,1-3,8-10H2
InChIKeyVEEFZMNESCOEIN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.53
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol

1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol (PubChem CID 55014099) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
PubChem CID55014099
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
SMILESOC(CNCC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c15-12-6-4-11(5-7-12)14(17)10-16-9-13-3-1-2-8-18-13/h4-7,13-14,16-17H,1-3,8-10H2
InChIKeyVEEFZMNESCOEIN-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol 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

2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314086
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852
1-[(4-chlorophenyl)-(4-methylphenyl)methoxy]-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 143729238
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 106313066
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94201113
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8676585
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol (CID 55014099) is 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol is OC(CNCC1CCCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
The InChIKey is VEEFZMNESCOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-12-6-4-11(5-7-12)14(17)10-16-9-13-3-1-2-8-18-13/h4-7,13-14,16-17H,1-3,8-10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol?
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol is sourced from PubChem (CID 55014099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).