1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine

C16H27N — CID 43496106

IUPAC1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)C(C)(C)C
InChIInChI=1S/C16H27N/c1-7-10-17-15(16(4,5)6)14-11-12(2)8-9-13(14)3/h8-9,11,15,17H,7,10H2,1-6H3
InChIKeyDDBHFXOVPHNRHU-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.39
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine

1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine (PubChem CID 43496106) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
PubChem CID43496106
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)C(C)(C)C
InChIInChI=1S/C16H27N/c1-7-10-17-15(16(4,5)6)14-11-12(2)8-9-13(14)3/h8-9,11,15,17H,7,10H2,1-6H3
InChIKeyDDBHFXOVPHNRHU-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-2-N,2-N,2-trimethyl-1-N-propylpropane-1,2-diamine
CID 79053319
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
1-(2,5-dimethylthiophen-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496846
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
N-[2-(2,2-difluoroethoxy)-1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 82004844
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
1-(2-bromo-5-iodophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114027050
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine (CID 43496106) is 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine is CCCNC(c1cc(C)ccc1C)C(C)(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
The InChIKey is DDBHFXOVPHNRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-10-17-15(16(4,5)6)14-11-12(2)8-9-13(14)3/h8-9,11,15,17H,7,10H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine?
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine is sourced from PubChem (CID 43496106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).