(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol

C13H21NO — CID 103854725

IUPAC(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
SMILESCc1ccc(C)c(CN[C@H](C)CCO)c1
InChIInChI=1S/C13H21NO/c1-10-4-5-11(2)13(8-10)9-14-12(3)6-7-15/h4-5,8,12,14-15H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyFXYSUFCWZJGSKY-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds5

About (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol

(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol (PubChem CID 103854725) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
PubChem CID103854725
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
SMILESCc1ccc(C)c(CN[C@H](C)CCO)c1
InChIInChI=1S/C13H21NO/c1-10-4-5-11(2)13(8-10)9-14-12(3)6-7-15/h4-5,8,12,14-15H,6-7,9H2,1-3H3/t12-/m1/s1
InChIKeyFXYSUFCWZJGSKY-GFCCVEGCSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[(2,5-dimethylphenyl)methyl]-4-phenylbutan-2-amine
CID 60657519
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
4-[(2,5-dimethylphenyl)methylamino]-4-phenylbutan-1-ol
CID 111449763
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
ethyl 2-[(2,5-dimethylphenyl)methylamino]propanoate
CID 54960586

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol?
The IUPAC name of (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol (CID 103854725) is (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol?
The canonical SMILES for (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol is Cc1ccc(C)c(CN[C@H](C)CCO)c1.
What is the InChIKey of (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol?
The InChIKey is FXYSUFCWZJGSKY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-4-5-11(2)13(8-10)9-14-12(3)6-7-15/h4-5,8,12,14-15H,6-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol?
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 103854725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).