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

C11H16ClFN2 — CID 54809625

IUPACN-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-8(2)14-5-6-15-9-3-4-11(13)10(12)7-9/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyMEUUEOZAQHJIPW-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.89
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 54809625) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID54809625
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-8(2)14-5-6-15-9-3-4-11(13)10(12)7-9/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyMEUUEOZAQHJIPW-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.89
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

(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
N'-(3-chloro-4-fluorophenyl)-N-[4-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54809601
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
1-N-(3-chloro-4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 83705089
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
3-(3-chloro-4-fluoroanilino)-2-methylpropanethioamide
CID 82086359
3-chloro-4-fluoro-N-(4-methylpentan-2-yl)aniline
CID 43119238
tert-butyl N-[2-(3-chloro-4-fluoroanilino)ethyl]carbamate
CID 115868886
3-(3-chloro-4-fluoroanilino)butanenitrile
CID 78956352
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206228

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine (CID 54809625) is N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MEUUEOZAQHJIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-8(2)14-5-6-15-9-3-4-11(13)10(12)7-9/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.89, 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-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 54809625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).