[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol

C16H18ClNO3 — CID 115777895

IUPAC[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1cc(CNc2ccc(CO)cc2)cc(Cl)c1OC
InChIInChI=1S/C16H18ClNO3/c1-20-15-8-12(7-14(17)16(15)21-2)9-18-13-5-3-11(10-19)4-6-13/h3-8,18-19H,9-10H2,1-2H3
InChIKeyNSUTVHMSPLVAHL-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.46
Rot. Bonds6

About [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol

[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol (PubChem CID 115777895) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
PubChem CID115777895
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
SMILESCOc1cc(CNc2ccc(CO)cc2)cc(Cl)c1OC
InChIInChI=1S/C16H18ClNO3/c1-20-15-8-12(7-14(17)16(15)21-2)9-18-13-5-3-11(10-19)4-6-13/h3-8,18-19H,9-10H2,1-2H3
InChIKeyNSUTVHMSPLVAHL-UHFFFAOYSA-N
XLogP3.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]ethanol
CID 110902664
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
CID 110006437
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-methylaniline
CID 43772637
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 43776973
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4717465
2-[4-[(3-chloro-4-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 65021363
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]pyridin-3-amine
CID 43782434
4-bromo-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43226477

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
The IUPAC name of [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol (CID 115777895) is [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
The canonical SMILES for [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol is COc1cc(CNc2ccc(CO)cc2)cc(Cl)c1OC.
What is the InChIKey of [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
The InChIKey is NSUTVHMSPLVAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-20-15-8-12(7-14(17)16(15)21-2)9-18-13-5-3-11(10-19)4-6-13/h3-8,18-19H,9-10H2,1-2H3.
What are the key properties of [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol?
[4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol has a molecular weight of 307.78 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 115777895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).