3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol

C22H24ClNO — CID 59570736

IUPAC3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO/c1-16(2)24(21-11-9-20(23)10-12-21)14-13-22(25)19-8-7-17-5-3-4-6-18(17)15-19/h3-12,15-16,22,25H,13-14H2,1-2H3
InChIKeyPYDWWNAVACDHJT-UHFFFAOYSA-N
MW353.89 g/mol
LogP5.83
Rot. Bonds6

About 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol

3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570736) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570736
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccc2ccccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO/c1-16(2)24(21-11-9-20(23)10-12-21)14-13-22(25)19-8-7-17-5-3-4-6-18(17)15-19/h3-12,15-16,22,25H,13-14H2,1-2H3
InChIKeyPYDWWNAVACDHJT-UHFFFAOYSA-N
XLogP5.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-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

3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
1-(8H-benzo[7]annulen-2-yl)-3-(N-propan-2-ylanilino)propan-1-ol
CID 143793938
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
1-(4-chlorophenyl)-3-naphthalen-2-yloxypropan-1-ol
CID 54113844
3-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]-1-naphthalen-2-ylpropan-1-ol
CID 59570766
4-hydroxy-N-methoxy-N-methyl-4-naphthalen-2-ylbutanamide
CID 135059721
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol (CID 59570736) is 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol is CC(C)N(CCC(O)c1ccc2ccccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is PYDWWNAVACDHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO/c1-16(2)24(21-11-9-20(23)10-12-21)14-13-22(25)19-8-7-17-5-3-4-6-18(17)15-19/h3-12,15-16,22,25H,13-14H2,1-2H3.
What are the key properties of 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol?
3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 353.89 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).