2-(3,5-dimethylphenyl)-N-propylhexan-3-amine

C17H29N — CID 83050812

IUPAC2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29N/c1-6-8-17(18-9-7-2)15(5)16-11-13(3)10-14(4)12-16/h10-12,15,17-18H,6-9H2,1-5H3
InChIKeyMDEKFRDYYIFQFR-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.58
Rot. Bonds7

About 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine

2-(3,5-dimethylphenyl)-N-propylhexan-3-amine (PubChem CID 83050812) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
PubChem CID83050812
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(3,5-dimethylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H29N/c1-6-8-17(18-9-7-2)15(5)16-11-13(3)10-14(4)12-16/h10-12,15,17-18H,6-9H2,1-5H3
InChIKeyMDEKFRDYYIFQFR-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
1-(3,5-dimethylphenyl)-3-methyl-N-propylbutan-2-amine
CID 61028769
3-(3,5-dimethylphenyl)-N-propylbutan-1-amine
CID 81019638
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
1-(3,5-dimethylphenyl)-3-methyl-N-propylbut-2-en-1-amine
CID 105004562

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine (CID 83050812) is 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine is CCCNC(CCC)C(C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine?
The InChIKey is MDEKFRDYYIFQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-8-17(18-9-7-2)15(5)16-11-13(3)10-14(4)12-16/h10-12,15,17-18H,6-9H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine?
2-(3,5-dimethylphenyl)-N-propylhexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 83050812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).