3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline

C17H18N2 — CID 164589703

IUPAC3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline
SMILESC=C(NC1(c2ccccc2)CC1)c1cccc(N)c1
InChIInChI=1S/C17H18N2/c1-13(14-6-5-9-16(18)12-14)19-17(10-11-17)15-7-3-2-4-8-15/h2-9,12,19H,1,10-11,18H2
InChIKeyVSOJRHRNKXGPFD-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.52
Rot. Bonds4

About 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline

3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline (PubChem CID 164589703) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline.

Molecular Properties

Compound Name3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline
PubChem CID164589703
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline
SMILESC=C(NC1(c2ccccc2)CC1)c1cccc(N)c1
InChIInChI=1S/C17H18N2/c1-13(14-6-5-9-16(18)12-14)19-17(10-11-17)15-7-3-2-4-8-15/h2-9,12,19H,1,10-11,18H2
InChIKeyVSOJRHRNKXGPFD-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.52
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

1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
CID 110490977
1-[1-(3-aminophenyl)cyclopropyl]-3-propan-2-ylurea
CID 110490986
2-[[1-(3-aminophenyl)cyclopropyl]carbamoylamino]-3-hydroxypropanoic acid
CID 110490983
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
3-(1-methoxyethenyl)aniline
CID 89340134
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline?
The IUPAC name of 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline (CID 164589703) is 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline.
What is the SMILES notation for 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline?
The canonical SMILES for 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline is C=C(NC1(c2ccccc2)CC1)c1cccc(N)c1.
What is the InChIKey of 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline?
The InChIKey is VSOJRHRNKXGPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13(14-6-5-9-16(18)12-14)19-17(10-11-17)15-7-3-2-4-8-15/h2-9,12,19H,1,10-11,18H2.
What are the key properties of 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline?
3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-phenylcyclopropyl)amino]ethenyl]aniline is sourced from PubChem (CID 164589703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).