4-chloro-2-[4-(methylamino)but-1-enyl]aniline

C11H15ClN2 — CID 170495448

IUPAC4-chloro-2-[4-(methylamino)but-1-enyl]aniline
SMILESCNCCC=Cc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2/c1-14-7-3-2-4-9-8-10(12)5-6-11(9)13/h2,4-6,8,14H,3,7,13H2,1H3
InChIKeySNKSHMCLJWYBEM-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.54
Rot. Bonds4

About 4-chloro-2-[4-(methylamino)but-1-enyl]aniline

4-chloro-2-[4-(methylamino)but-1-enyl]aniline (PubChem CID 170495448) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 4-chloro-2-[4-(methylamino)but-1-enyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[4-(methylamino)but-1-enyl]aniline
PubChem CID170495448
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name4-chloro-2-[4-(methylamino)but-1-enyl]aniline
SMILESCNCCC=Cc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2/c1-14-7-3-2-4-9-8-10(12)5-6-11(9)13/h2,4-6,8,14H,3,7,13H2,1H3
InChIKeySNKSHMCLJWYBEM-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobut-1-enyl)-4-chloroaniline
CID 170486646
2-[4-(methylamino)but-1-enyl]-4-(trifluoromethyl)aniline
CID 170496362
6-chloro-2-[4-(methylamino)but-1-enyl]pyridin-3-amine
CID 170495397
ethyl 4-amino-3-[4-(methylamino)but-1-enyl]benzoate
CID 170496630
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
3-chloro-5-[4-(methylamino)but-1-enyl]aniline
CID 170495443
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-amino-5-chlorophenyl)but-3-enoic acid
CID 91346863
2-[5-chloro-2-[4-(methylamino)but-1-enyl]phenoxy]acetic acid
CID 170496591
4-chloro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495346
4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335
2-amino-5-[4-(methylamino)but-1-enyl]benzonitrile
CID 170495703

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(methylamino)but-1-enyl]aniline?
The IUPAC name of 4-chloro-2-[4-(methylamino)but-1-enyl]aniline (CID 170495448) is 4-chloro-2-[4-(methylamino)but-1-enyl]aniline.
What is the SMILES notation for 4-chloro-2-[4-(methylamino)but-1-enyl]aniline?
The canonical SMILES for 4-chloro-2-[4-(methylamino)but-1-enyl]aniline is CNCCC=Cc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[4-(methylamino)but-1-enyl]aniline?
The InChIKey is SNKSHMCLJWYBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-14-7-3-2-4-9-8-10(12)5-6-11(9)13/h2,4-6,8,14H,3,7,13H2,1H3.
What are the key properties of 4-chloro-2-[4-(methylamino)but-1-enyl]aniline?
4-chloro-2-[4-(methylamino)but-1-enyl]aniline has a molecular weight of 210.71 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(methylamino)but-1-enyl]aniline is sourced from PubChem (CID 170495448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).