3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol

C14H22ClNO — CID 113250283

IUPAC3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
SMILESCC(NC(CCO)C(C)C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-10(2)14(8-9-17)16-11(3)12-6-4-5-7-13(12)15/h4-7,10-11,14,16-17H,8-9H2,1-3H3
InChIKeyDCIBHEQYEQWZJO-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds6

About 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol

3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 113250283) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID113250283
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
SMILESCC(NC(CCO)C(C)C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-10(2)14(8-9-17)16-11(3)12-6-4-5-7-13(12)15/h4-7,10-11,14,16-17H,8-9H2,1-3H3
InChIKeyDCIBHEQYEQWZJO-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-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

2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726
3-[1-(2-ethoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786537
3-(2-chlorophenyl)-4-methylpentan-1-ol
CID 82078258
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
N-[1-(2-chlorophenyl)ethyl]-6-methylheptan-2-amine
CID 43081081
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
N-[1-(2-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 43078952
3-[1-(2-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 103948533
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol (CID 113250283) is 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol is CC(NC(CCO)C(C)C)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is DCIBHEQYEQWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)14(8-9-17)16-11(3)12-6-4-5-7-13(12)15/h4-7,10-11,14,16-17H,8-9H2,1-3H3.
What are the key properties of 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol?
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 113250283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).