(S)-methylamino(phenyl)methanol

C8H11NO — CID 138716586

IUPAC(S)-methylamino(phenyl)methanol
SMILESCN[C@@H](O)c1ccccc1
InChIInChI=1S/C8H11NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6,8-10H,1H3/t8-/m0/s1
InChIKeyRTRVJYTVTCOSIA-QMMMGPOBSA-N
MW137.18 g/mol
LogP0.90
Rot. Bonds2

About (S)-methylamino(phenyl)methanol

(S)-methylamino(phenyl)methanol (PubChem CID 138716586) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (S)-methylamino(phenyl)methanol.

Molecular Properties

Compound Name(S)-methylamino(phenyl)methanol
PubChem CID138716586
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(S)-methylamino(phenyl)methanol
SMILESCN[C@@H](O)c1ccccc1
InChIInChI=1S/C8H11NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6,8-10H,1H3/t8-/m0/s1
InChIKeyRTRVJYTVTCOSIA-QMMMGPOBSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-methylamino(phenyl)methanol?
The IUPAC name of (S)-methylamino(phenyl)methanol (CID 138716586) is (S)-methylamino(phenyl)methanol.
What is the SMILES notation for (S)-methylamino(phenyl)methanol?
The canonical SMILES for (S)-methylamino(phenyl)methanol is CN[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-methylamino(phenyl)methanol?
The InChIKey is RTRVJYTVTCOSIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6,8-10H,1H3/t8-/m0/s1.
What are the key properties of (S)-methylamino(phenyl)methanol?
(S)-methylamino(phenyl)methanol has a molecular weight of 137.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-methylamino(phenyl)methanol is sourced from PubChem (CID 138716586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).