2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine

C16H27N — CID 64663722

IUPAC2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(CC(C)CNC(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-6-15-7-9-16(10-8-15)11-14(4)12-17-13(2)3/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyGGVGOYQUDBIOAC-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.82
Rot. Bonds7

About 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine

2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine (PubChem CID 64663722) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
PubChem CID64663722
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine
SMILESCCCc1ccc(CC(C)CNC(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-6-15-7-9-16(10-8-15)11-14(4)12-17-13(2)3/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyGGVGOYQUDBIOAC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylpropyl)-4-propylbenzene
CID 64671393
N-methyl-N'-propan-2-yl-1-(4-propylphenyl)ethane-1,2-diamine
CID 116950451
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
3-(furan-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64664568
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-methyl-3-[3-(2-methylpropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 116545803
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine (CID 64663722) is 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine is CCCc1ccc(CC(C)CNC(C)C)cc1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine?
The InChIKey is GGVGOYQUDBIOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-15-7-9-16(10-8-15)11-14(4)12-17-13(2)3/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine?
2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 64663722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).