N,2-dimethyl-3-(3-methylphenyl)butan-1-amine

C13H21N — CID 81016539

IUPACN,2-dimethyl-3-(3-methylphenyl)butan-1-amine
SMILESCNCC(C)C(C)c1cccc(C)c1
InChIInChI=1S/C13H21N/c1-10-6-5-7-13(8-10)12(3)11(2)9-14-4/h5-8,11-12,14H,9H2,1-4H3
InChIKeyKKOPZOCIJILABR-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.95
Rot. Bonds4

About N,2-dimethyl-3-(3-methylphenyl)butan-1-amine

N,2-dimethyl-3-(3-methylphenyl)butan-1-amine (PubChem CID 81016539) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,2-dimethyl-3-(3-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(3-methylphenyl)butan-1-amine
PubChem CID81016539
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,2-dimethyl-3-(3-methylphenyl)butan-1-amine
SMILESCNCC(C)C(C)c1cccc(C)c1
InChIInChI=1S/C13H21N/c1-10-6-5-7-13(8-10)12(3)11(2)9-14-4/h5-8,11-12,14H,9H2,1-4H3
InChIKeyKKOPZOCIJILABR-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425
N-methyl-2-(3-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323720
N-methyl-4-(3-methylbutoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416931
N,5,5-trimethyl-2-(3-methylphenyl)hexan-1-amine
CID 79417284
methyl 3-(methylamino)-2-(3-methylphenyl)propanoate
CID 117243238
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
N-methyl-2-(3-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106449148
N-methyl-2-(3-methylphenyl)-2-pyridin-2-ylethanamine
CID 116824646
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(3-methylphenyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-3-(3-methylphenyl)butan-1-amine (CID 81016539) is N,2-dimethyl-3-(3-methylphenyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(3-methylphenyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(3-methylphenyl)butan-1-amine is CNCC(C)C(C)c1cccc(C)c1.
What is the InChIKey of N,2-dimethyl-3-(3-methylphenyl)butan-1-amine?
The InChIKey is KKOPZOCIJILABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-6-5-7-13(8-10)12(3)11(2)9-14-4/h5-8,11-12,14H,9H2,1-4H3.
What are the key properties of N,2-dimethyl-3-(3-methylphenyl)butan-1-amine?
N,2-dimethyl-3-(3-methylphenyl)butan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(3-methylphenyl)butan-1-amine is sourced from PubChem (CID 81016539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).