N,3-dimethyl-3-phenylbutan-1-amine

C12H19N — CID 62966813

IUPACN,3-dimethyl-3-phenylbutan-1-amine
SMILESCNCCC(C)(C)c1ccccc1
InChIInChI=1S/C12H19N/c1-12(2,9-10-13-3)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyILTOPEGULLDCEU-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.57
Rot. Bonds4

About N,3-dimethyl-3-phenylbutan-1-amine

N,3-dimethyl-3-phenylbutan-1-amine (PubChem CID 62966813) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,3-dimethyl-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-phenylbutan-1-amine
PubChem CID62966813
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,3-dimethyl-3-phenylbutan-1-amine
SMILESCNCCC(C)(C)c1ccccc1
InChIInChI=1S/C12H19N/c1-12(2,9-10-13-3)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyILTOPEGULLDCEU-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
3-(4-ethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79830478
N,7-dimethyl-3-methylidene-7-phenyloctan-1-amine;propane
CID 142053880
3-(4-cyclopropyloxyphenyl)-N,3-dimethylbutan-1-amine
CID 114520483
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
CID 70593938
3-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 79830214
3-(3,4-diethylphenyl)-N,3-dimethylbutan-1-amine
CID 113319299
2-[(2-methyl-2-phenylpropyl)amino]ethanethiol
CID 115224453
3-(furan-2-yl)-N,3-dimethylbutan-1-amine
CID 79830783
(4-isocyano-2-methylbutan-2-yl)benzene
CID 20647251
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-phenylbutan-1-amine?
The IUPAC name of N,3-dimethyl-3-phenylbutan-1-amine (CID 62966813) is N,3-dimethyl-3-phenylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-3-phenylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-3-phenylbutan-1-amine is CNCCC(C)(C)c1ccccc1.
What is the InChIKey of N,3-dimethyl-3-phenylbutan-1-amine?
The InChIKey is ILTOPEGULLDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2,9-10-13-3)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of N,3-dimethyl-3-phenylbutan-1-amine?
N,3-dimethyl-3-phenylbutan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-phenylbutan-1-amine is sourced from PubChem (CID 62966813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).