[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol

C15H16ClNO2 — CID 81151607

IUPAC[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
SMILESCOc1cccc(N(C)c2ccc(CO)cc2Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-17(12-4-3-5-13(9-12)19-2)15-7-6-11(10-18)8-14(15)16/h3-9,18H,10H2,1-2H3
InChIKeySKTKHSAQSQUMLJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.61
Rot. Bonds4

About [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol

[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol (PubChem CID 81151607) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
PubChem CID81151607
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol
SMILESCOc1cccc(N(C)c2ccc(CO)cc2Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-17(12-4-3-5-13(9-12)19-2)15-7-6-11(10-18)8-14(15)16/h3-9,18H,10H2,1-2H3
InChIKeySKTKHSAQSQUMLJ-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
3-chloro-4-(3-methoxy-N-methylanilino)benzenecarbothioamide
CID 63088155
4-(chloromethyl)-N-(3-methoxyphenyl)-N,2-dimethylaniline
CID 55222140
[3-chloro-4-[3-(dimethylamino)phenoxy]phenyl]methanol
CID 81152356
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
(3-methoxyphenyl)(113C)methanol
CID 11593446
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
2-chloro-4-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 81143433
2-(2-aminopropyl)-3-chloro-N-(3-methoxyphenyl)-N-methylaniline
CID 63817196
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
CID 81166461
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol?
The IUPAC name of [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol (CID 81151607) is [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol.
What is the SMILES notation for [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol?
The canonical SMILES for [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol is COc1cccc(N(C)c2ccc(CO)cc2Cl)c1.
What is the InChIKey of [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol?
The InChIKey is SKTKHSAQSQUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17(12-4-3-5-13(9-12)19-2)15-7-6-11(10-18)8-14(15)16/h3-9,18H,10H2,1-2H3.
What are the key properties of [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol?
[3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(3-methoxy-N-methylanilino)phenyl]methanol is sourced from PubChem (CID 81151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).