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

C13H21NO — CID 97057919

IUPAC(2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine
SMILESCC[C@@H](N)COCc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-4-13(14)9-15-8-12-6-5-10(2)7-11(12)3/h5-7,13H,4,8-9,14H2,1-3H3/t13-/m1/s1
InChIKeyCZAJUSFQOKGGJM-CYBMUJFWSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds5

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

(2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine (PubChem CID 97057919) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine
PubChem CID97057919
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine
SMILESCC[C@@H](N)COCc1ccc(C)cc1C
InChIInChI=1S/C13H21NO/c1-4-13(14)9-15-8-12-6-5-10(2)7-11(12)3/h5-7,13H,4,8-9,14H2,1-3H3/t13-/m1/s1
InChIKeyCZAJUSFQOKGGJM-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-[(2,4-dimethylphenyl)methoxy]propan-2-amine
CID 96656753
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
1-[4-(2,5-dimethylphenoxy)-2-methylphenyl]butan-2-amine
CID 63802262
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63932433
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
CID 112500895
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
3-(2-aminobutoxymethyl)aniline
CID 57007296

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine?
The IUPAC name of (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine (CID 97057919) is (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine.
What is the SMILES notation for (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine?
The canonical SMILES for (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine is CC[C@@H](N)COCc1ccc(C)cc1C.
What is the InChIKey of (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine?
The InChIKey is CZAJUSFQOKGGJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(14)9-15-8-12-6-5-10(2)7-11(12)3/h5-7,13H,4,8-9,14H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine?
(2R)-1-[(2,4-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-[(2,4-dimethylphenyl)methoxy]butan-2-amine is sourced from PubChem (CID 97057919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).