3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline

C15H15ClN2O — CID 9391192

IUPAC3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline
SMILESC[C@@H]1C[C@@H]1c1ccc(/C=N\Nc2cccc(Cl)c2)o1
InChIInChI=1S/C15H15ClN2O/c1-10-7-14(10)15-6-5-13(19-15)9-17-18-12-4-2-3-11(16)8-12/h2-6,8-10,14,18H,7H2,1H3/b17-9-/t10-,14+/m1/s1
InChIKeyALNZVLSSLVOVBO-KOJHPZCCSA-N
MW274.75 g/mol
LogP4.50
Rot. Bonds4

About 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline

3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline (PubChem CID 9391192) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline
PubChem CID9391192
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline
SMILESC[C@@H]1C[C@@H]1c1ccc(/C=N\Nc2cccc(Cl)c2)o1
InChIInChI=1S/C15H15ClN2O/c1-10-7-14(10)15-6-5-13(19-15)9-17-18-12-4-2-3-11(16)8-12/h2-6,8-10,14,18H,7H2,1H3/b17-9-/t10-,14+/m1/s1
InChIKeyALNZVLSSLVOVBO-KOJHPZCCSA-N
XLogP4.50
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]hydroxylamine
CID 129431237
N-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]hydroxylamine
CID 71831994
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
3-chloro-N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7227483
3-chloro-N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 7640468
tert-butyl N-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]carbamate
CID 9391101
1-ethyl-3-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]thiourea
CID 9392217
1-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-propan-2-ylthiourea
CID 9392690
2-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]isoindole-1,3-dione
CID 9391238
4-fluoro-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9390659
4-hydroxy-N-[(Z)-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]benzamide
CID 9391276

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline (CID 9391192) is 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline is C[C@@H]1C[C@@H]1c1ccc(/C=N\Nc2cccc(Cl)c2)o1.
What is the InChIKey of 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline?
The InChIKey is ALNZVLSSLVOVBO-KOJHPZCCSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-7-14(10)15-6-5-13(19-15)9-17-18-12-4-2-3-11(16)8-12/h2-6,8-10,14,18H,7H2,1H3/b17-9-/t10-,14+/m1/s1.
What are the key properties of 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline?
3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline has a molecular weight of 274.75 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]aniline is sourced from PubChem (CID 9391192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).