(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine

C14H23N — CID 93026402

IUPAC(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
SMILESCc1ccc(CN[C@H](C)C(C)C)cc1C
InChIInChI=1S/C14H23N/c1-10(2)13(5)15-9-14-7-6-11(3)12(4)8-14/h6-8,10,13,15H,9H2,1-5H3/t13-/m1/s1
InChIKeyRCRVPXOEYRLBCW-CYBMUJFWSA-N
MW205.34 g/mol
LogP3.44
Rot. Bonds4

About (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine

(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine (PubChem CID 93026402) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
PubChem CID93026402
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
SMILESCc1ccc(CN[C@H](C)C(C)C)cc1C
InChIInChI=1S/C14H23N/c1-10(2)13(5)15-9-14-7-6-11(3)12(4)8-14/h6-8,10,13,15H,9H2,1-5H3/t13-/m1/s1
InChIKeyRCRVPXOEYRLBCW-CYBMUJFWSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
(2S)-N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084994
2-[(3,4-dimethylphenyl)methylamino]propanoic acid
CID 61499358
2-N-[(3,4-dimethylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945359
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82312509
N-[(3,5-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 60690388
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine?
The IUPAC name of (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine (CID 93026402) is (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine is Cc1ccc(CN[C@H](C)C(C)C)cc1C.
What is the InChIKey of (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine?
The InChIKey is RCRVPXOEYRLBCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)13(5)15-9-14-7-6-11(3)12(4)8-14/h6-8,10,13,15H,9H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine?
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 93026402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).