N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine

C13H11Cl2N — CID 79168498

IUPACN-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
SMILESClC=C(Cl)CNc1ccc2ccccc2c1
InChIInChI=1S/C13H11Cl2N/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13/h1-8,16H,9H2
InChIKeyQRABUUJXJJXBGS-UHFFFAOYSA-N
MW252.14 g/mol
LogP4.57
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine

N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine (PubChem CID 79168498) has the molecular formula C13H11Cl2N and a molecular weight of 252.14 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
PubChem CID79168498
Molecular FormulaC13H11Cl2N
Molecular Weight252.14 g/mol
Exact Mass251.03
IUPAC NameN-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
SMILESClC=C(Cl)CNc1ccc2ccccc2c1
InChIInChI=1S/C13H11Cl2N/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13/h1-8,16H,9H2
InChIKeyQRABUUJXJJXBGS-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
4-bromo-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168299
4-tert-butyl-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168001
(E)-3-(naphthalen-2-ylamino)prop-1-en-1-ol
CID 166448656
2-(naphthalen-2-ylamino)acetyl cyanide
CID 100819015
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
2,2-difluoro-3-(naphthalen-2-ylamino)propan-1-ol
CID 106177968
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
N-(4-fluorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082682

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine (CID 79168498) is N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine is ClC=C(Cl)CNc1ccc2ccccc2c1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine?
The InChIKey is QRABUUJXJJXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N/c14-8-12(15)9-16-13-6-5-10-3-1-2-4-11(10)7-13/h1-8,16H,9H2.
What are the key properties of N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine?
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine has a molecular weight of 252.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine is sourced from PubChem (CID 79168498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).