4-chloro-N-(2-phenylpropylideneamino)aniline

C15H15ClN2 — CID 84902614

IUPAC4-chloro-N-(2-phenylpropylideneamino)aniline
SMILESCC(C=NNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2/c1-12(13-5-3-2-4-6-13)11-17-18-15-9-7-14(16)8-10-15/h2-12,18H,1H3
InChIKeyBUSGTNDBAGBDPJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.54
Rot. Bonds4

About 4-chloro-N-(2-phenylpropylideneamino)aniline

4-chloro-N-(2-phenylpropylideneamino)aniline (PubChem CID 84902614) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylpropylideneamino)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-phenylpropylideneamino)aniline
PubChem CID84902614
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name4-chloro-N-(2-phenylpropylideneamino)aniline
SMILESCC(C=NNc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H15ClN2/c1-12(13-5-3-2-4-6-13)11-17-18-15-9-7-14(16)8-10-15/h2-12,18H,1H3
InChIKeyBUSGTNDBAGBDPJ-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline
CID 9058434
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
3-nitro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9077539
N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine
CID 26975194
2-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7788018
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
4-(2,4-dichlorophenoxy)-N-(2-phenylpropylideneamino)butanamide
CID 3711585
2-N,5-N-bis[(Z)-[(2S)-2-phenylpropylidene]amino]furan-2,5-dicarboxamide
CID 40571735
tert-butyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 9074824
ethyl N-[(Z)-[(2S)-2-phenylpropylidene]amino]carbamate
CID 7858390

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylpropylideneamino)aniline?
The IUPAC name of 4-chloro-N-(2-phenylpropylideneamino)aniline (CID 84902614) is 4-chloro-N-(2-phenylpropylideneamino)aniline.
What is the SMILES notation for 4-chloro-N-(2-phenylpropylideneamino)aniline?
The canonical SMILES for 4-chloro-N-(2-phenylpropylideneamino)aniline is CC(C=NNc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(2-phenylpropylideneamino)aniline?
The InChIKey is BUSGTNDBAGBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-12(13-5-3-2-4-6-13)11-17-18-15-9-7-14(16)8-10-15/h2-12,18H,1H3.
What are the key properties of 4-chloro-N-(2-phenylpropylideneamino)aniline?
4-chloro-N-(2-phenylpropylideneamino)aniline has a molecular weight of 258.75 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylpropylideneamino)aniline is sourced from PubChem (CID 84902614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).