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

C18H31N — CID 63412385

IUPAC3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-12-19-18(13-15(5)7-2)17-10-8-16(9-11-17)14(3)4/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3
InChIKeyFWAIXHSIYUEIMW-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.29
Rot. Bonds8

About 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine

3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine (PubChem CID 63412385) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
PubChem CID63412385
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-12-19-18(13-15(5)7-2)17-10-8-16(9-11-17)14(3)4/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3
InChIKeyFWAIXHSIYUEIMW-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-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
3-methyl-1-(4-methylphenyl)-N-propylhexan-1-amine
CID 63412327
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498
1-(4-bromo-3,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114330805
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
N,N-dimethyl-3-[3-methyl-1-(propylamino)pentyl]aniline
CID 105138285
1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
3-methyl-1-(4-methylsulfanylphenyl)-N-propylhexan-1-amine
CID 115845374
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine (CID 63412385) is 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
The InChIKey is FWAIXHSIYUEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-12-19-18(13-15(5)7-2)17-10-8-16(9-11-17)14(3)4/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3.
What are the key properties of 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine?
3-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 3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 63412385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).