3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol

C17H20ClNO — CID 106817071

IUPAC3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
SMILESCc1ccc(CNc2cccc(CCCO)c2)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-13-7-8-15(11-17(13)18)12-19-16-6-2-4-14(10-16)5-3-9-20/h2,4,6-8,10-11,19-20H,3,5,9,12H2,1H3
InChIKeyJUFZYGRDJCUNPJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.19
Rot. Bonds6

About 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol

3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol (PubChem CID 106817071) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
PubChem CID106817071
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol
SMILESCc1ccc(CNc2cccc(CCCO)c2)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-13-7-8-15(11-17(13)18)12-19-16-6-2-4-14(10-16)5-3-9-20/h2,4,6-8,10-11,19-20H,3,5,9,12H2,1H3
InChIKeyJUFZYGRDJCUNPJ-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-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]-3-[(dimethylamino)methyl]aniline
CID 106816343
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
2-fluoro-5-[[3-(3-hydroxypropyl)anilino]methyl]benzonitrile
CID 107936249
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
N-benzyl-3-chloro-4-methylaniline
CID 18778604
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
N-[(4-chloro-3-fluorophenyl)methyl]-3-(3-chloropropyl)aniline
CID 107887554
2-chloro-5-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816335
4-[[3-(3-hydroxypropyl)anilino]methyl]benzene-1,2,3-triol
CID 107730994
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol (CID 106817071) is 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol is Cc1ccc(CNc2cccc(CCCO)c2)cc1Cl.
What is the InChIKey of 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol?
The InChIKey is JUFZYGRDJCUNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-7-8-15(11-17(13)18)12-19-16-6-2-4-14(10-16)5-3-9-20/h2,4,6-8,10-11,19-20H,3,5,9,12H2,1H3.
What are the key properties of 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol?
3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol has a molecular weight of 289.81 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-chloro-4-methylphenyl)methylamino]phenyl]propan-1-ol is sourced from PubChem (CID 106817071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).