4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline

C20H27N — CID 67867455

IUPAC4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline
SMILESCCc1ccc(N(CCCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H27N/c1-4-18-12-14-20(15-13-18)21(17(2)3)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17H,4,8,11,16H2,1-3H3
InChIKeySCWQTSCOCLTKAV-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.10
Rot. Bonds7

About 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline

4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline (PubChem CID 67867455) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline
PubChem CID67867455
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline
SMILESCCc1ccc(N(CCCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H27N/c1-4-18-12-14-20(15-13-18)21(17(2)3)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17H,4,8,11,16H2,1-3H3
InChIKeySCWQTSCOCLTKAV-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 63783737
1-[methyl(3-phenylpropyl)amino]ethanol
CID 67730739
ethylcyclodecapentaene
CID 90861705
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
carbanide;ethylbenzene;2-methylpropane;ruthenium(2+)
CID 167712241
4-octyl-N-(4-octylphenyl)-N-(2-phenylethyl)aniline
CID 141327378
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
ethane;ethylbenzene
CID 90887003
1,4-bis(3-phenylpropyl)benzene
CID 59467322
sulfanium ethylbenzene
CID 22726309
ethylbenzene;molybdenum
CID 161189179

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline?
The IUPAC name of 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline (CID 67867455) is 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline is CCc1ccc(N(CCCc2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline?
The InChIKey is SCWQTSCOCLTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-18-12-14-20(15-13-18)21(17(2)3)16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17H,4,8,11,16H2,1-3H3.
What are the key properties of 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline?
4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline has a molecular weight of 281.44 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline is sourced from PubChem (CID 67867455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).