4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline

C18H24N2 — CID 80556336

IUPAC4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline
SMILESCCN(CC(C)(C)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-4-20(17-8-6-5-7-9-17)14-18(2,3)15-10-12-16(19)13-11-15/h5-13H,4,14,19H2,1-3H3
InChIKeyUQLIOCSLPIFDEP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.07
Rot. Bonds5

About 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline

4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline (PubChem CID 80556336) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline
PubChem CID80556336
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline
SMILESCCN(CC(C)(C)c1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C18H24N2/c1-4-20(17-8-6-5-7-9-17)14-18(2,3)15-10-12-16(19)13-11-15/h5-13H,4,14,19H2,1-3H3
InChIKeyUQLIOCSLPIFDEP-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylaniline;hydrazine
CID 161037544
N,N-diethylaniline
CID 7061
CID 161146216
CID 161146216
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-(1,1-diphenylethyl)-N,N-diethylaniline
CID 139052612
4-N-(2,2-difluoro-2-phenylethyl)-4-N-propylbenzene-1,4-diamine
CID 116789710
4-[1-[2,2-dimethylpropyl(methyl)amino]-2-methylpropan-2-yl]aniline
CID 80556642
3-(N-ethylanilino)-2,2-dimethylpropanoyl chloride
CID 82041541
4-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 63233710
1-N,4-N-bis[4-(2-methylbutan-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143918142
4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408
benzene;4-tert-butylaniline
CID 175140068

Frequently Asked Questions

What is the IUPAC name of 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline?
The IUPAC name of 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline (CID 80556336) is 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline.
What is the SMILES notation for 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline?
The canonical SMILES for 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline is CCN(CC(C)(C)c1ccc(N)cc1)c1ccccc1.
What is the InChIKey of 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline?
The InChIKey is UQLIOCSLPIFDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-20(17-8-6-5-7-9-17)14-18(2,3)15-10-12-16(19)13-11-15/h5-13H,4,14,19H2,1-3H3.
What are the key properties of 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline?
4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline has a molecular weight of 268.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(N-ethylanilino)-2-methylpropan-2-yl]aniline is sourced from PubChem (CID 80556336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).