2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine

C18H31N — CID 43625521

IUPAC2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(C)CCC
InChIInChI=1S/C18H31N/c1-6-8-15(5)18(19-13-7-2)17-11-9-16(10-12-17)14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyQQRPYMQPACBDBE-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.29
Rot. Bonds8

About 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine

2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine (PubChem CID 43625521) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
PubChem CID43625521
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)C(C)CCC
InChIInChI=1S/C18H31N/c1-6-8-15(5)18(19-13-7-2)17-11-9-16(10-12-17)14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyQQRPYMQPACBDBE-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
CID 114246234
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
CID 105017368
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine (CID 43625521) is 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine is CCCNC(c1ccc(C(C)C)cc1)C(C)CCC.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The InChIKey is QQRPYMQPACBDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-15(5)18(19-13-7-2)17-11-9-16(10-12-17)14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 43625521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).