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

C19H33N — CID 63511266

IUPACN-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33N/c1-6-13-19(14-7-2,15-20-8-3)18-11-9-17(10-12-18)16(4)5/h9-12,16,20H,6-8,13-15H2,1-5H3
InChIKeyDHEISBHDWSXPFI-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.26
Rot. Bonds9

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

N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine (PubChem CID 63511266) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
PubChem CID63511266
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)(CNCC)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H33N/c1-6-13-19(14-7-2,15-20-8-3)18-11-9-17(10-12-18)16(4)5/h9-12,16,20H,6-8,13-15H2,1-5H3
InChIKeyDHEISBHDWSXPFI-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
2-(3,4-dimethylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 63511272
N-ethyl-3-methyl-3-(4-propan-2-ylphenyl)butan-1-amine
CID 79830405
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63510738
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
2-(3,4-dimethylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63512435
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
2-ethyl-2-(4-propan-2-ylphenyl)butanenitrile
CID 55026495
N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 83108347
2-(4-ethoxyphenyl)-N-propan-2-yl-2-propylpentan-1-amine
CID 63510070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine?
The IUPAC name of N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine (CID 63511266) is N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine?
The canonical SMILES for N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine is CCCC(CCC)(CNCC)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine?
The InChIKey is DHEISBHDWSXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-6-13-19(14-7-2,15-20-8-3)18-11-9-17(10-12-18)16(4)5/h9-12,16,20H,6-8,13-15H2,1-5H3.
What are the key properties of N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine?
N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propan-2-ylphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 63511266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).