4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine

C17H29N — CID 105170610

IUPAC4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccccc1C)C(C)CC
InChIInChI=1S/C17H29N/c1-5-13-18-17(14(3)6-2)12-11-16-10-8-7-9-15(16)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3
InChIKeyKOKJBQWLYXPHJV-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds8

About 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine

4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine (PubChem CID 105170610) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
PubChem CID105170610
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCc1ccccc1C)C(C)CC
InChIInChI=1S/C17H29N/c1-5-13-18-17(14(3)6-2)12-11-16-10-8-7-9-15(16)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3
InChIKeyKOKJBQWLYXPHJV-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 63528106
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
[4-ethyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105323985
1-(4-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105076565
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine?
The IUPAC name of 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine (CID 105170610) is 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine is CCCNC(CCc1ccccc1C)C(C)CC.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine?
The InChIKey is KOKJBQWLYXPHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-13-18-17(14(3)6-2)12-11-16-10-8-7-9-15(16)4/h7-10,14,17-18H,5-6,11-13H2,1-4H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine?
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 105170610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).