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

C14H14ClNO — CID 82026496

IUPAC[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol
SMILESNCc1ccc(C(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,14,17H,9,16H2
InChIKeyQPRJZKWHKWZGBP-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.88
Rot. Bonds3

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

[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol (PubChem CID 82026496) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol
PubChem CID82026496
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol
SMILESNCc1ccc(C(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,14,17H,9,16H2
InChIKeyQPRJZKWHKWZGBP-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(4-iodophenyl)methanol
CID 114982492
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(3-chlorophenyl)-(3-phenylphenyl)methanol
CID 171366588
(3-chlorophenyl)methanediol
CID 20679602
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
3-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 65186071
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol?
The IUPAC name of [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol (CID 82026496) is [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol is NCc1ccc(C(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol?
The InChIKey is QPRJZKWHKWZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,14,17H,9,16H2.
What are the key properties of [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol?
[4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol has a molecular weight of 247.73 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3-chlorophenyl)methanol is sourced from PubChem (CID 82026496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).