[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol

C11H17NO — CID 130674225

IUPAC[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
SMILESCC[C@H](N)c1cc(CO)ccc1C
InChIInChI=1S/C11H17NO/c1-3-11(12)10-6-9(7-13)5-4-8(10)2/h4-6,11,13H,3,7,12H2,1-2H3/t11-/m0/s1
InChIKeyGNERZTSECJQSDU-NSHDSACASA-N
MW179.26 g/mol
LogP1.90
Rot. Bonds3

About [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol

[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol (PubChem CID 130674225) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
PubChem CID130674225
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
SMILESCC[C@H](N)c1cc(CO)ccc1C
InChIInChI=1S/C11H17NO/c1-3-11(12)10-6-9(7-13)5-4-8(10)2/h4-6,11,13H,3,7,12H2,1-2H3/t11-/m0/s1
InChIKeyGNERZTSECJQSDU-NSHDSACASA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-3-propan-2-ylphenyl)methanol
CID 20871908
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
3-(1-aminopropyl)-4-methylaniline
CID 130000361
[3-[(R)-amino(cyclopropyl)methyl]-4-methylphenyl]methanol
CID 130665283
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
methyl 2,3-dihydroxy-3-[5-(hydroxymethyl)-2-methylphenyl]propanoate
CID 171864006
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216
[2-[(1S)-1-aminopropyl]-4-pyridinyl]methanol
CID 130677514
[2-[(1R)-1-aminopropyl]-4-fluoro-5-methylphenyl]methanol
CID 131151166
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol?
The IUPAC name of [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol (CID 130674225) is [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol?
The canonical SMILES for [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol is CC[C@H](N)c1cc(CO)ccc1C.
What is the InChIKey of [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol?
The InChIKey is GNERZTSECJQSDU-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-3-11(12)10-6-9(7-13)5-4-8(10)2/h4-6,11,13H,3,7,12H2,1-2H3/t11-/m0/s1.
What are the key properties of [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol?
[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol is sourced from PubChem (CID 130674225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).