4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine

C16H27N — CID 79421664

IUPAC4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-5-10-17-12-15(11-13(2)3)16-9-7-6-8-14(16)4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyIZBMLAHVAVQALT-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.12
Rot. Bonds7

About 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine

4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine (PubChem CID 79421664) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
PubChem CID79421664
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-5-10-17-12-15(11-13(2)3)16-9-7-6-8-14(16)4/h6-9,13,15,17H,5,10-12H2,1-4H3
InChIKeyIZBMLAHVAVQALT-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421267
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
3-(4-iodophenyl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424302
4-butoxy-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79420865
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
1-(1-chloro-4-methylpentan-2-yl)-2-methylbenzene
CID 79419088
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
CID 79438678

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine (CID 79421664) is 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine is CCCNCC(CC(C)C)c1ccccc1C.
What is the InChIKey of 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine?
The InChIKey is IZBMLAHVAVQALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-10-17-12-15(11-13(2)3)16-9-7-6-8-14(16)4/h6-9,13,15,17H,5,10-12H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine?
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 79421664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).