(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol

C18H17NO — CID 100804210

IUPAC(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1c(N)cccc1[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C18H17NO/c1-12-14(9-5-11-17(12)19)18(20)16-10-4-7-13-6-2-3-8-15(13)16/h2-11,18,20H,19H2,1H3/t18-/m1/s1
InChIKeyKNWWJRIKCYOLHJ-GOSISDBHSA-N
MW263.34 g/mol
LogP3.81
Rot. Bonds2

About (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol

(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol (PubChem CID 100804210) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
PubChem CID100804210
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1c(N)cccc1[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C18H17NO/c1-12-14(9-5-11-17(12)19)18(20)16-10-4-7-13-6-2-3-8-15(13)16/h2-11,18,20H,19H2,1H3/t18-/m1/s1
InChIKeyKNWWJRIKCYOLHJ-GOSISDBHSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(R)-(3-amino-2-methylphenyl)-(4-phenylphenyl)methanol
CID 100804157
(S)-(3-amino-2-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 100803973
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261

Frequently Asked Questions

What is the IUPAC name of (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol (CID 100804210) is (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol is Cc1c(N)cccc1[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol?
The InChIKey is KNWWJRIKCYOLHJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-14(9-5-11-17(12)19)18(20)16-10-4-7-13-6-2-3-8-15(13)16/h2-11,18,20H,19H2,1H3/t18-/m1/s1.
What are the key properties of (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol?
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol has a molecular weight of 263.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 100804210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).