5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol

C14H22ClNO — CID 106833862

IUPAC5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCc1ccc(CNCCCC(C)CO)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-11(10-17)4-3-7-16-9-13-6-5-12(2)14(15)8-13/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyKWGNFBSIUDASBF-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.15
Rot. Bonds7

About 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol

5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol (PubChem CID 106833862) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
PubChem CID106833862
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol
SMILESCc1ccc(CNCCCC(C)CO)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-11(10-17)4-3-7-16-9-13-6-5-12(2)14(15)8-13/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyKWGNFBSIUDASBF-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(3-chloro-4-methylphenyl)methylamino]-2-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

N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
5-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113344574
5-[(4-fluoro-3-methylphenyl)methylamino]-2-methylpentan-1-ol
CID 113340247
2-methyl-5-[(4-methyl-3-nitrophenyl)methylamino]pentan-1-ol
CID 103859629
N-[(3-chloro-4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106833872
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 113340286
4-[[(5-hydroxy-4-methylpentyl)amino]methyl]benzonitrile
CID 103859641
5-[(2,3-dichlorophenyl)methylamino]-2-methylpentan-1-ol
CID 103859612
5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
CID 103859647
2-methyl-5-[(4-nitrophenyl)methylamino]pentan-1-ol
CID 103859631
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol (CID 106833862) is 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol is Cc1ccc(CNCCCC(C)CO)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol?
The InChIKey is KWGNFBSIUDASBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-11(10-17)4-3-7-16-9-13-6-5-12(2)14(15)8-13/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol?
5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol has a molecular weight of 255.79 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylphenyl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 106833862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).