3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol

C14H22ClNO — CID 169442941

IUPAC3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol
SMILESCCC(O)(CCN(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-4-14(17,9-10-16(2)3)11-12-5-7-13(15)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyUDDKVDNYMOTTCK-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.98
Rot. Bonds6

About 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol

3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol (PubChem CID 169442941) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol
PubChem CID169442941
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol
SMILESCCC(O)(CCN(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-4-14(17,9-10-16(2)3)11-12-5-7-13(15)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyUDDKVDNYMOTTCK-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-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 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol (CID 169442941) is 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol is CCC(O)(CCN(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol?
The InChIKey is UDDKVDNYMOTTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-14(17,9-10-16(2)3)11-12-5-7-13(15)8-6-12/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol?
3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol has a molecular weight of 255.79 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(dimethylamino)pentan-3-ol is sourced from PubChem (CID 169442941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).