1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine

C11H16ClFN2 — CID 62071197

IUPAC1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H16ClFN2/c1-7(2)15-11(6-14)8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyFDCJJGFGSQTWQT-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.48
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine

1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62071197) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62071197
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H16ClFN2/c1-7(2)15-11(6-14)8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyFDCJJGFGSQTWQT-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 81146229
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
1-(4-chloro-3-fluorophenyl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65384161
1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070322
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
(2R)-2-(4-chloro-3-fluorophenyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]ethanol
CID 97158414
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 83069690
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine (CID 62071197) is 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine is CC(C)NC(CN)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is FDCJJGFGSQTWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-7(2)15-11(6-14)8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine?
1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62071197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).