1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine

C12H14ClN3 — CID 170894877

IUPAC1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine
SMILESNCC(N)c1cccn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c13-9-4-1-2-5-11(9)16-7-3-6-12(16)10(15)8-14/h1-7,10H,8,14-15H2
InChIKeyCXKYRPVEXDXTCU-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.09
Rot. Bonds3

About 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine

1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine (PubChem CID 170894877) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine
PubChem CID170894877
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine
SMILESNCC(N)c1cccn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c13-9-4-1-2-5-11(9)16-7-3-6-12(16)10(15)8-14/h1-7,10H,8,14-15H2
InChIKeyCXKYRPVEXDXTCU-UHFFFAOYSA-N
XLogP2.09
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703387
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
[1-(2-chlorophenyl)-2-methylimidazol-4-yl]methanamine
CID 82286824
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
1-[3-(2-chlorophenyl)imidazol-4-yl]propan-2-amine
CID 83896907
3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
2-[3-(2-chlorophenyl)imidazol-4-yl]ethanamine
CID 114717018
(2-chloro-6-pyrazol-1-ylphenyl)methanamine
CID 28965390
3-(2-chlorophenyl)-1,3-oxazol-2-one
CID 141380770
(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
CID 131086535
3-chloro-2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 130632959

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine (CID 170894877) is 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine is NCC(N)c1cccn1-c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine?
The InChIKey is CXKYRPVEXDXTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-9-4-1-2-5-11(9)16-7-3-6-12(16)10(15)8-14/h1-7,10H,8,14-15H2.
What are the key properties of 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine?
1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine has a molecular weight of 235.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrrol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 170894877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).