1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol

C16H18ClNO — CID 62643881

IUPAC1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
SMILESCN(CCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18(15-5-3-2-4-6-15)12-11-16(19)13-7-9-14(17)10-8-13/h2-10,16,19H,11-12H2,1H3
InChIKeyFUKLPFHSVZRIPR-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol

1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol (PubChem CID 62643881) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
PubChem CID62643881
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
SMILESCN(CCC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18(15-5-3-2-4-6-15)12-11-16(19)13-7-9-14(17)10-8-13/h2-10,16,19H,11-12H2,1H3
InChIKeyFUKLPFHSVZRIPR-UHFFFAOYSA-N
XLogP3.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol (CID 62643881) is 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol is CN(CCC(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol?
The InChIKey is FUKLPFHSVZRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18(15-5-3-2-4-6-15)12-11-16(19)13-7-9-14(17)10-8-13/h2-10,16,19H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol?
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol has a molecular weight of 275.78 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol is sourced from PubChem (CID 62643881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).