(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile

C9H10ClN3 — CID 130713953

IUPAC(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile
SMILESN#CC[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H10ClN3/c10-6-1-2-8(12)7(5-6)9(13)3-4-11/h1-2,5,9H,3,12-13H2/t9-/m1/s1
InChIKeyIIGMKTMTFONGMY-SECBINFHSA-N
MW195.65 g/mol
LogP1.84
Rot. Bonds2

About (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile

(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile (PubChem CID 130713953) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile
PubChem CID130713953
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile
SMILESN#CC[C@@H](N)c1cc(Cl)ccc1N
InChIInChI=1S/C9H10ClN3/c10-6-1-2-8(12)7(5-6)9(13)3-4-11/h1-2,5,9H,3,12-13H2/t9-/m1/s1
InChIKeyIIGMKTMTFONGMY-SECBINFHSA-N
XLogP1.84
TPSA75.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile;hydrochloride
CID 171260647
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205
(3S)-3-amino-3-(2-amino-5-methoxyphenyl)propanenitrile
CID 130625338
3-amino-3-(4-amino-3-chlorophenyl)propanenitrile
CID 55268479
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046
2-[(1R)-1-amino-3,3-difluoropropyl]-4-chloroaniline
CID 171313952
(3R)-3-amino-3-(2-chloro-4-iodophenyl)propanenitrile
CID 131096429
(3S)-3-amino-3-(4,5-dichloro-2-hydroxyphenyl)propanenitrile
CID 130987877
(3R)-3-amino-3-(5-amino-2,4-difluorophenyl)propanenitrile
CID 130655547
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756
2-[(1S)-1-amino-4,4,4-trifluorobutyl]-4-chloroaniline;hydrochloride
CID 171233845
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-chloroaniline
CID 130997859

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile (CID 130713953) is (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile is N#CC[C@@H](N)c1cc(Cl)ccc1N.
What is the InChIKey of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile?
The InChIKey is IIGMKTMTFONGMY-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-6-1-2-8(12)7(5-6)9(13)3-4-11/h1-2,5,9H,3,12-13H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile?
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile has a molecular weight of 195.65 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-amino-5-chlorophenyl)propanenitrile is sourced from PubChem (CID 130713953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).