N-methyl-1-(2-methylphenyl)butan-2-amine

C12H19N — CID 60820425

IUPACN-methyl-1-(2-methylphenyl)butan-2-amine
SMILESCCC(Cc1ccccc1C)NC
InChIInChI=1S/C12H19N/c1-4-12(13-3)9-11-8-6-5-7-10(11)2/h5-8,12-13H,4,9H2,1-3H3
InChIKeyQRUBLVYRKKLYND-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-1-(2-methylphenyl)butan-2-amine

N-methyl-1-(2-methylphenyl)butan-2-amine (PubChem CID 60820425) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)butan-2-amine
PubChem CID60820425
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-1-(2-methylphenyl)butan-2-amine
SMILESCCC(Cc1ccccc1C)NC
InChIInChI=1S/C12H19N/c1-4-12(13-3)9-11-8-6-5-7-10(11)2/h5-8,12-13H,4,9H2,1-3H3
InChIKeyQRUBLVYRKKLYND-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068
N-methyl-1-(2-methylphenyl)octan-2-amine
CID 62605223
N,6-dimethyl-1-(2-methylphenyl)heptan-2-amine
CID 83161242
1-tert-butylsulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 65132723
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
[4-methyl-1-(2-methylphenyl)hexan-2-yl]hydrazine
CID 105208422
N-methyl-1-(2-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088351
N,N-dimethyl-2-[2-(methylamino)butyl]benzenesulfonamide
CID 63202014
3-fluoro-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105449373

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of N-methyl-1-(2-methylphenyl)butan-2-amine (CID 60820425) is N-methyl-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)butan-2-amine is CCC(Cc1ccccc1C)NC.
What is the InChIKey of N-methyl-1-(2-methylphenyl)butan-2-amine?
The InChIKey is QRUBLVYRKKLYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-12(13-3)9-11-8-6-5-7-10(11)2/h5-8,12-13H,4,9H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylphenyl)butan-2-amine?
N-methyl-1-(2-methylphenyl)butan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 60820425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).