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

C17H20ClNO2 — CID 62630498

IUPAC1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccc(N(C)CCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-19(15-7-9-16(21-2)10-8-15)12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyWKWAFEVKIRSIET-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.91
Rot. Bonds6

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

1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol (PubChem CID 62630498) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
PubChem CID62630498
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccc(N(C)CCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-19(15-7-9-16(21-2)10-8-15)12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,20H,11-12H2,1-2H3
InChIKeyWKWAFEVKIRSIET-UHFFFAOYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(4-chlorophenyl)-3-[2-methoxypropyl(methyl)amino]propan-1-ol
CID 112754618
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570751
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
(1R,2S)-3-amino-1-(4-chloro-N-methylanilino)-1-(4-methoxyphenyl)propan-2-ol
CID 24897265
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol (CID 62630498) is 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol is COc1ccc(N(C)CCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
The InChIKey is WKWAFEVKIRSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-19(15-7-9-16(21-2)10-8-15)12-11-17(20)13-3-5-14(18)6-4-13/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol?
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol has a molecular weight of 305.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 62630498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).