[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol

C15H16ClNO2 — CID 102663566

IUPAC[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
SMILESNCc1ccc(COc2cccc(CO)c2)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-15-7-11(8-17)4-5-13(15)10-19-14-3-1-2-12(6-14)9-18/h1-7,18H,8-10,17H2
InChIKeyMEMSZZOFVYKXDZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.87
Rot. Bonds5

About [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol

[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol (PubChem CID 102663566) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
PubChem CID102663566
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol
SMILESNCc1ccc(COc2cccc(CO)c2)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-15-7-11(8-17)4-5-13(15)10-19-14-3-1-2-12(6-14)9-18/h1-7,18H,8-10,17H2
InChIKeyMEMSZZOFVYKXDZ-UHFFFAOYSA-N
XLogP2.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 102665908
3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]-N,N-dimethylaniline
CID 102663561
[3-[[2-(aminomethyl)-4-fluorophenyl]methoxy]phenyl]methanol
CID 63289394
4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
[3-chloro-4-[(3,5-dimethylphenoxy)methyl]phenyl]methanamine
CID 102663465
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
[3-chloro-4-[(2,3-difluorophenoxy)methyl]phenyl]methanamine
CID 102663575
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
[3-[[4-(bromomethyl)phenyl]methoxy]phenyl]methanol
CID 177328592

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol (CID 102663566) is [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol is NCc1ccc(COc2cccc(CO)c2)c(Cl)c1.
What is the InChIKey of [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol?
The InChIKey is MEMSZZOFVYKXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-15-7-11(8-17)4-5-13(15)10-19-14-3-1-2-12(6-14)9-18/h1-7,18H,8-10,17H2.
What are the key properties of [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol?
[3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(aminomethyl)-2-chlorophenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 102663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).