1-(4-ethylphenyl)-N-propylnonan-2-amine

C20H35N — CID 115803240

IUPAC1-(4-ethylphenyl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(CC)cc1)NCCC
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-11-20(21-16-5-2)17-19-14-12-18(6-3)13-15-19/h12-15,20-21H,4-11,16-17H2,1-3H3
InChIKeyIGOHUDBTWIYHCF-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.52
Rot. Bonds12

About 1-(4-ethylphenyl)-N-propylnonan-2-amine

1-(4-ethylphenyl)-N-propylnonan-2-amine (PubChem CID 115803240) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-propylnonan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-propylnonan-2-amine
PubChem CID115803240
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(4-ethylphenyl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(CC)cc1)NCCC
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-11-20(21-16-5-2)17-19-14-12-18(6-3)13-15-19/h12-15,20-21H,4-11,16-17H2,1-3H3
InChIKeyIGOHUDBTWIYHCF-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.52
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

N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-propylnonan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-propylnonan-2-amine (CID 115803240) is 1-(4-ethylphenyl)-N-propylnonan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-propylnonan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-propylnonan-2-amine is CCCCCCCC(Cc1ccc(CC)cc1)NCCC.
What is the InChIKey of 1-(4-ethylphenyl)-N-propylnonan-2-amine?
The InChIKey is IGOHUDBTWIYHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-7-8-9-10-11-20(21-16-5-2)17-19-14-12-18(6-3)13-15-19/h12-15,20-21H,4-11,16-17H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-propylnonan-2-amine?
1-(4-ethylphenyl)-N-propylnonan-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-propylnonan-2-amine is sourced from PubChem (CID 115803240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).