2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine

C17H29N — CID 116545803

IUPAC2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)Cc1cccc(CC(C)CNC(C)C)c1
InChIInChI=1S/C17H29N/c1-13(2)9-16-7-6-8-17(11-16)10-15(5)12-18-14(3)4/h6-8,11,13-15,18H,9-10,12H2,1-5H3
InChIKeyCIKNPNUOMNALAR-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.06
Rot. Bonds7

About 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine

2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine (PubChem CID 116545803) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
PubChem CID116545803
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)Cc1cccc(CC(C)CNC(C)C)c1
InChIInChI=1S/C17H29N/c1-13(2)9-16-7-6-8-17(11-16)10-15(5)12-18-14(3)4/h6-8,11,13-15,18H,9-10,12H2,1-5H3
InChIKeyCIKNPNUOMNALAR-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
CID 64663722
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
2-[3-(2-methylpropyl)phenyl]-1-(propan-2-ylamino)propan-2-ol
CID 116546306
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
CID 63523534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine (CID 116545803) is 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine is CC(C)Cc1cccc(CC(C)CNC(C)C)c1.
What is the InChIKey of 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is CIKNPNUOMNALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13(2)9-16-7-6-8-17(11-16)10-15(5)12-18-14(3)4/h6-8,11,13-15,18H,9-10,12H2,1-5H3.
What are the key properties of 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine?
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 116545803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).