(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine

C10H14Cl2N2 — CID 130750002

IUPAC(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine
SMILESCCc1c([C@@H](N)CN)ccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-2-6-7(9(14)5-13)3-4-8(11)10(6)12/h3-4,9H,2,5,13-14H2,1H3/t9-/m0/s1
InChIKeyPRVONPAESDBZBI-VIFPVBQESA-N
MW233.14 g/mol
LogP2.51
Rot. Bonds3

About (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine

(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine (PubChem CID 130750002) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine
PubChem CID130750002
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine
SMILESCCc1c([C@@H](N)CN)ccc(Cl)c1Cl
InChIInChI=1S/C10H14Cl2N2/c1-2-6-7(9(14)5-13)3-4-8(11)10(6)12/h3-4,9H,2,5,13-14H2,1H3/t9-/m0/s1
InChIKeyPRVONPAESDBZBI-VIFPVBQESA-N
XLogP2.51
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3,4-dichloro-2-ethylphenyl)ethanamine
CID 130713588
(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
CID 131029109
(1R)-1-(2,3,6-trichlorophenyl)ethane-1,2-diamine
CID 130714145
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
1-(2,3,4-trichlorophenyl)butan-1-amine
CID 82550973
2-bromo-3-chloro-6-[(1R)-1,2-diaminoethyl]phenol
CID 130863163
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
(1S)-1-(2,3,6-trichlorophenyl)propan-1-amine;hydrochloride
CID 171232376
1-(2-chloro-4-methylsulfonylphenyl)ethane-1,2-diamine
CID 170894899
1-(2-amino-4-chlorophenyl)ethane-1,2-diamine
CID 55270734
1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine (CID 130750002) is (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine is CCc1c([C@@H](N)CN)ccc(Cl)c1Cl.
What is the InChIKey of (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine?
The InChIKey is PRVONPAESDBZBI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-2-6-7(9(14)5-13)3-4-8(11)10(6)12/h3-4,9H,2,5,13-14H2,1H3/t9-/m0/s1.
What are the key properties of (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine?
(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 130750002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).