(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol

C15H16ClNO2 — CID 129395416

IUPAC(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2cc(C)ccc2N)c1Cl
InChIInChI=1S/C15H16ClNO2/c1-9-6-7-12(17)11(8-9)15(18)10-4-3-5-13(19-2)14(10)16/h3-8,15,18H,17H2,1-2H3/t15-/m1/s1
InChIKeyNAKMOTXHNDADFU-OAHLLOKOSA-N
MW277.75 g/mol
LogP3.32
Rot. Bonds3

About (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol

(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol (PubChem CID 129395416) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
PubChem CID129395416
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
SMILESCOc1cccc([C@@H](O)c2cc(C)ccc2N)c1Cl
InChIInChI=1S/C15H16ClNO2/c1-9-6-7-12(17)11(8-9)15(18)10-4-3-5-13(19-2)14(10)16/h3-8,15,18H,17H2,1-2H3/t15-/m1/s1
InChIKeyNAKMOTXHNDADFU-OAHLLOKOSA-N
XLogP3.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
(S)-(2-amino-5-chlorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129395304
(2-amino-5-bromophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 82704014
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
CID 124638298
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 100803973
(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol
CID 105486551

Frequently Asked Questions

What is the IUPAC name of (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol (CID 129395416) is (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol is COc1cccc([C@@H](O)c2cc(C)ccc2N)c1Cl.
What is the InChIKey of (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol?
The InChIKey is NAKMOTXHNDADFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-6-7-12(17)11(8-9)15(18)10-4-3-5-13(19-2)14(10)16/h3-8,15,18H,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol?
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol has a molecular weight of 277.75 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 129395416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).