(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol

C11H17NO — CID 42328832

IUPAC(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C[C@@H](CN)CO)cc1
InChIInChI=1S/C11H17NO/c1-9-2-4-10(5-3-9)6-11(7-12)8-13/h2-5,11,13H,6-8,12H2,1H3/t11-/m0/s1
InChIKeyUIMGYZUPZCXHOK-NSHDSACASA-N
MW179.26 g/mol
LogP1.10
Rot. Bonds4

About (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol

(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 42328832) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID42328832
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C[C@@H](CN)CO)cc1
InChIInChI=1S/C11H17NO/c1-9-2-4-10(5-3-9)6-11(7-12)8-13/h2-5,11,13H,6-8,12H2,1H3/t11-/m0/s1
InChIKeyUIMGYZUPZCXHOK-NSHDSACASA-N
XLogP1.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
2-(aminomethyl)-3-[4-(difluoromethyl)phenyl]propan-1-ol
CID 115524491
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
CID 124706723
(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine
CID 129393015
5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
CID 66060531
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
4-[2-(aminomethyl)-3-hydroxypropyl]-2,6-dimethylphenol
CID 43117941
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol (CID 42328832) is (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(C[C@@H](CN)CO)cc1.
What is the InChIKey of (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is UIMGYZUPZCXHOK-NSHDSACASA-N. The full InChI is InChI=1S/C11H17NO/c1-9-2-4-10(5-3-9)6-11(7-12)8-13/h2-5,11,13H,6-8,12H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol?
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 42328832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).