(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine

C13H21NO — CID 97057923

IUPAC(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
SMILESCC[C@@H](N)COCc1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO/c1-4-13(14)9-15-8-12-6-5-10(2)11(3)7-12/h5-7,13H,4,8-9,14H2,1-3H3/t13-/m1/s1
InChIKeyQZTHWCITLAXGAK-CYBMUJFWSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds5

About (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine

(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine (PubChem CID 97057923) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
PubChem CID97057923
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
SMILESCC[C@@H](N)COCc1ccc(C)c(C)c1
InChIInChI=1S/C13H21NO/c1-4-13(14)9-15-8-12-6-5-10(2)11(3)7-12/h5-7,13H,4,8-9,14H2,1-3H3/t13-/m1/s1
InChIKeyQZTHWCITLAXGAK-CYBMUJFWSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
3-(2-aminobutoxymethyl)aniline
CID 57007296
1-amino-3-[(3,4-dimethylphenyl)methoxy]propan-2-ol
CID 102548255
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]butan-2-amine
CID 97058295
(2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057919
ethyl 4-(2-aminobutoxymethyl)benzoate
CID 82352941
3-(2-aminobutoxymethyl)benzonitrile
CID 82352991
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
2-butan-2-yloxybutane;4-ethyl-1,2-dimethylbenzene
CID 67682143

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine?
The IUPAC name of (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine (CID 97057923) is (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine.
What is the SMILES notation for (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine?
The canonical SMILES for (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine is CC[C@@H](N)COCc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine?
The InChIKey is QZTHWCITLAXGAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(14)9-15-8-12-6-5-10(2)11(3)7-12/h5-7,13H,4,8-9,14H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine?
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine is sourced from PubChem (CID 97057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).