(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol

C12H19NO — CID 55265559

IUPAC(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
SMILESCc1ccc(C)c([C@H](N)CCCO)c1
InChIInChI=1S/C12H19NO/c1-9-5-6-10(2)11(8-9)12(13)4-3-7-14/h5-6,8,12,14H,3-4,7,13H2,1-2H3/t12-/m1/s1
InChIKeyMDDSEQLYPZYATQ-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.08
Rot. Bonds4

About (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol

(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol (PubChem CID 55265559) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
PubChem CID55265559
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
SMILESCc1ccc(C)c([C@H](N)CCCO)c1
InChIInChI=1S/C12H19NO/c1-9-5-6-10(2)11(8-9)12(13)4-3-7-14/h5-6,8,12,14H,3-4,7,13H2,1-2H3/t12-/m1/s1
InChIKeyMDDSEQLYPZYATQ-GFCCVEGCSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
2-[(1R)-1-amino-4-hydroxybutyl]-5-methylphenol;hydrochloride
CID 171212431
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propan-1-ol;hydrochloride
CID 171204045
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
2-[(1R)-1-amino-4-hydroxybutyl]-6-methylphenol;hydrochloride
CID 171212526
3-(2,5-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 64812187

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol?
The IUPAC name of (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol (CID 55265559) is (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol.
What is the SMILES notation for (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol?
The canonical SMILES for (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol is Cc1ccc(C)c([C@H](N)CCCO)c1.
What is the InChIKey of (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol?
The InChIKey is MDDSEQLYPZYATQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-5-6-10(2)11(8-9)12(13)4-3-7-14/h5-6,8,12,14H,3-4,7,13H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol?
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 55265559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).