(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine

C10H14F2N2 — CID 131029109

IUPAC(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
SMILESCCc1c([C@H](N)CN)ccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-2-6-7(9(14)5-13)3-4-8(11)10(6)12/h3-4,9H,2,5,13-14H2,1H3/t9-/m1/s1
InChIKeyCDGDWVWCTBZQKE-SECBINFHSA-N
MW200.23 g/mol
LogP1.49
Rot. Bonds3

About (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine

(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine (PubChem CID 131029109) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
PubChem CID131029109
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
SMILESCCc1c([C@H](N)CN)ccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-2-6-7(9(14)5-13)3-4-8(11)10(6)12/h3-4,9H,2,5,13-14H2,1H3/t9-/m1/s1
InChIKeyCDGDWVWCTBZQKE-SECBINFHSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
(1R)-1-(3,4-dichloro-2-ethylphenyl)ethane-1,2-diamine
CID 130750002
(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
CID 66516916
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
1-(2-bromo-3,4-difluorophenyl)-3-ethylpentan-1-amine
CID 107538885
2-ethyl-3,4-difluorophenol
CID 130218632
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
CID 55274919
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine (CID 131029109) is (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine is CCc1c([C@H](N)CN)ccc(F)c1F.
What is the InChIKey of (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine?
The InChIKey is CDGDWVWCTBZQKE-SECBINFHSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-2-6-7(9(14)5-13)3-4-8(11)10(6)12/h3-4,9H,2,5,13-14H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine?
(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 131029109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).