7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine

C19H33N — CID 105177113

IUPAC7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
SMILESCCCNC(CCCC(C)C)CCc1ccc(C)cc1
InChIInChI=1S/C19H33N/c1-5-15-20-19(8-6-7-16(2)3)14-13-18-11-9-17(4)10-12-18/h9-12,16,19-20H,5-8,13-15H2,1-4H3
InChIKeyANGKVHBNXFTOQQ-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.12
Rot. Bonds10

About 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine

7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine (PubChem CID 105177113) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine.

Molecular Properties

Compound Name7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
PubChem CID105177113
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
SMILESCCCNC(CCCC(C)C)CCc1ccc(C)cc1
InChIInChI=1S/C19H33N/c1-5-15-20-19(8-6-7-16(2)3)14-13-18-11-9-17(4)10-12-18/h9-12,16,19-20H,5-8,13-15H2,1-4H3
InChIKeyANGKVHBNXFTOQQ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
9-methyl-N-propyldecan-5-amine
CID 83162126
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980
7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
CID 105176977
1-(4-iodophenyl)-N-propylhexan-3-amine
CID 65479065
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
1-(4-methylphenyl)nonan-3-ylhydrazine
CID 105293919

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine?
The IUPAC name of 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine (CID 105177113) is 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine.
What is the SMILES notation for 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine?
The canonical SMILES for 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine is CCCNC(CCCC(C)C)CCc1ccc(C)cc1.
What is the InChIKey of 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine?
The InChIKey is ANGKVHBNXFTOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-15-20-19(8-6-7-16(2)3)14-13-18-11-9-17(4)10-12-18/h9-12,16,19-20H,5-8,13-15H2,1-4H3.
What are the key properties of 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine?
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine has a molecular weight of 275.48 g/mol, XLogP of 5.12, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine is sourced from PubChem (CID 105177113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).