4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline

C18H22N2 — CID 159376150

IUPAC4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
SMILESCC=C(CC(C)c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C18H22N2/c1-3-14(16-6-10-18(20)11-7-16)12-13(2)15-4-8-17(19)9-5-15/h3-11,13H,12,19-20H2,1-2H3
InChIKeyLKIMPWRTRGWSKL-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.45
Rot. Bonds4

About 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline

4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline (PubChem CID 159376150) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
PubChem CID159376150
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
SMILESCC=C(CC(C)c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C18H22N2/c1-3-14(16-6-10-18(20)11-7-16)12-13(2)15-4-8-17(19)9-5-15/h3-11,13H,12,19-20H2,1-2H3
InChIKeyLKIMPWRTRGWSKL-UHFFFAOYSA-N
XLogP4.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-hydroxyphenyl)hex-4-en-2-yl]phenol
CID 158413505
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692
3-(4-aminophenyl)butanal
CID 143206837
4-[(E)-4,6-bis(4-hydroxyphenyl)-7-methyloct-4-en-2-yl]phenol
CID 141094996
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
CID 106186853
3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
4-[1-(dimethylamino)propan-2-yl]aniline
CID 115015271
1-amino-4-(4-aminophenyl)pentan-2-ol
CID 112718075
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline?
The IUPAC name of 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline (CID 159376150) is 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline.
What is the SMILES notation for 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline?
The canonical SMILES for 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline is CC=C(CC(C)c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline?
The InChIKey is LKIMPWRTRGWSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-14(16-6-10-18(20)11-7-16)12-13(2)15-4-8-17(19)9-5-15/h3-11,13H,12,19-20H2,1-2H3.
What are the key properties of 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline?
4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline is sourced from PubChem (CID 159376150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).