(1-phenylpropan-2-ylamino)methanol

C10H15NO — CID 54463712

IUPAC(1-phenylpropan-2-ylamino)methanol
SMILESCC(Cc1ccccc1)NCO
InChIInChI=1S/C10H15NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyXDJZXBNATCXUBU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.16
Rot. Bonds4

About (1-phenylpropan-2-ylamino)methanol

(1-phenylpropan-2-ylamino)methanol (PubChem CID 54463712) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1-phenylpropan-2-ylamino)methanol.

Molecular Properties

Compound Name(1-phenylpropan-2-ylamino)methanol
PubChem CID54463712
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1-phenylpropan-2-ylamino)methanol
SMILESCC(Cc1ccccc1)NCO
InChIInChI=1S/C10H15NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3
InChIKeyXDJZXBNATCXUBU-UHFFFAOYSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.16
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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Related Compounds

3-methyl-4-(1-phenylpropan-2-ylamino)butan-1-ol
CID 66090361
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
N-methyl-1-phenylpropan-2-amine
CID 118309477
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394

Frequently Asked Questions

What is the IUPAC name of (1-phenylpropan-2-ylamino)methanol?
The IUPAC name of (1-phenylpropan-2-ylamino)methanol (CID 54463712) is (1-phenylpropan-2-ylamino)methanol.
What is the SMILES notation for (1-phenylpropan-2-ylamino)methanol?
The canonical SMILES for (1-phenylpropan-2-ylamino)methanol is CC(Cc1ccccc1)NCO.
What is the InChIKey of (1-phenylpropan-2-ylamino)methanol?
The InChIKey is XDJZXBNATCXUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3.
What are the key properties of (1-phenylpropan-2-ylamino)methanol?
(1-phenylpropan-2-ylamino)methanol has a molecular weight of 165.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpropan-2-ylamino)methanol is sourced from PubChem (CID 54463712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).