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

C15H16ClFN2 — CID 54809574

IUPACN-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccccc2F)cc1Cl
InChIInChI=1S/C15H16ClFN2/c1-11-6-7-12(10-13(11)16)18-8-9-19-15-5-3-2-4-14(15)17/h2-7,10,18-19H,8-9H2,1H3
InChIKeyNYMIYQOUSVXXCR-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.31
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 54809574) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID54809574
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCNc2ccccc2F)cc1Cl
InChIInChI=1S/C15H16ClFN2/c1-11-6-7-12(10-13(11)16)18-8-9-19-15-5-3-2-4-14(15)17/h2-7,10,18-19H,8-9H2,1H3
InChIKeyNYMIYQOUSVXXCR-UHFFFAOYSA-N
XLogP4.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
N-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 54807261
N'-(2-chlorophenyl)-N-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 54806440
N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-chloro-N-[(3,4-difluorophenyl)methyl]-4-methylaniline
CID 29045125
3-(3-chloro-4-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037798
3-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841284
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 64553780
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827877

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine (CID 54809574) is N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine is Cc1ccc(NCCNc2ccccc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is NYMIYQOUSVXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-11-6-7-12(10-13(11)16)18-8-9-19-15-5-3-2-4-14(15)17/h2-7,10,18-19H,8-9H2,1H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine?
N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 278.76 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 54809574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).