1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine

C15H16ClFN2 — CID 81144777

IUPAC1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H16ClFN2/c1-10-3-2-4-12(7-10)19-15(9-18)11-5-6-14(17)13(16)8-11/h2-8,15,19H,9,18H2,1H3
InChIKeyIGVUTXHVRPSFQV-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.90
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine

1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 81144777) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID81144777
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H16ClFN2/c1-10-3-2-4-12(7-10)19-15(9-18)11-5-6-14(17)13(16)8-11/h2-8,15,19H,9,18H2,1H3
InChIKeyIGVUTXHVRPSFQV-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 65376750
1-(3-chloro-4-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 81146229

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 81144777) is 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NC(CN)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is IGVUTXHVRPSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-3-2-4-12(7-10)19-15(9-18)11-5-6-14(17)13(16)8-11/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine?
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 278.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 81144777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).