1-(4-methylphenyl)-N-propylpentan-3-amine

C15H25N — CID 60994999

IUPAC1-(4-methylphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)CCc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-4-12-16-15(5-2)11-10-14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyLTPNEQAJAJHBBP-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.71
Rot. Bonds7

About 1-(4-methylphenyl)-N-propylpentan-3-amine

1-(4-methylphenyl)-N-propylpentan-3-amine (PubChem CID 60994999) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-propylpentan-3-amine
PubChem CID60994999
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(4-methylphenyl)-N-propylpentan-3-amine
SMILESCCCNC(CC)CCc1ccc(C)cc1
InChIInChI=1S/C15H25N/c1-4-12-16-15(5-2)11-10-14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyLTPNEQAJAJHBBP-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.71
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
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
6-methyl-1-(4-methylphenyl)-N-propylhept-6-en-3-amine
CID 105182618
1-cyclopentyl-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105138992
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
4-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 107893980
N-[(4-methylphenyl)methyl]hexan-3-amine
CID 62117408
1-(4-iodophenyl)-N-propylhexan-3-amine
CID 65479065
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107064323
2-methyl-4-(4-methylphenyl)-N-propylbutan-1-amine
CID 64664775
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-propylpentan-3-amine?
The IUPAC name of 1-(4-methylphenyl)-N-propylpentan-3-amine (CID 60994999) is 1-(4-methylphenyl)-N-propylpentan-3-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-propylpentan-3-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-propylpentan-3-amine is CCCNC(CC)CCc1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-propylpentan-3-amine?
The InChIKey is LTPNEQAJAJHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-12-16-15(5-2)11-10-14-8-6-13(3)7-9-14/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-N-propylpentan-3-amine?
1-(4-methylphenyl)-N-propylpentan-3-amine has a molecular weight of 219.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-propylpentan-3-amine is sourced from PubChem (CID 60994999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).