2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine

C15H16ClFN2 — CID 115554439

IUPAC2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NCCc1ccccc1F
InChIInChI=1S/C15H16ClFN2/c1-10-8-14(18)12(16)9-15(10)19-7-6-11-4-2-3-5-13(11)17/h2-5,8-9,19H,6-7,18H2,1H3
InChIKeyVDKDPPFIYMZCPF-UHFFFAOYSA-N
MW278.76 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine

2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine (PubChem CID 115554439) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
PubChem CID115554439
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
SMILESCc1cc(N)c(Cl)cc1NCCc1ccccc1F
InChIInChI=1S/C15H16ClFN2/c1-10-8-14(18)12(16)9-15(10)19-7-6-11-4-2-3-5-13(11)17/h2-5,8-9,19H,6-7,18H2,1H3
InChIKeyVDKDPPFIYMZCPF-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
5-chloro-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-nitroaniline
CID 115555653
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
1-N-[2-(2-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 114041150
2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 113334246
4-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 54934414
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
2-chloro-4-N-[(3,4-difluorophenyl)methyl]-5-methylbenzene-1,4-diamine
CID 115554741
N-[2-(2-fluorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 62589948
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
2-chloro-5-methyl-4-N-(3-methylbutyl)benzene-1,4-diamine
CID 115554438
2-chloro-5-methyl-4-N-octylbenzene-1,4-diamine
CID 115566164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine (CID 115554439) is 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine is Cc1cc(N)c(Cl)cc1NCCc1ccccc1F.
What is the InChIKey of 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine?
The InChIKey is VDKDPPFIYMZCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-8-14(18)12(16)9-15(10)19-7-6-11-4-2-3-5-13(11)17/h2-5,8-9,19H,6-7,18H2,1H3.
What are the key properties of 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine?
2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine has a molecular weight of 278.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 115554439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).