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

C10H14ClFN2 — CID 130604425

IUPACN'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2/c1-7(5-13)6-14-8-2-3-9(11)10(12)4-8/h2-4,7,14H,5-6,13H2,1H3
InChIKeyPNUQYSYUEFXAGM-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.49
Rot. Bonds4

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

N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine (PubChem CID 130604425) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
PubChem CID130604425
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC NameN'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2/c1-7(5-13)6-14-8-2-3-9(11)10(12)4-8/h2-4,7,14H,5-6,13H2,1H3
InChIKeyPNUQYSYUEFXAGM-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-fluoroanilino)-2-methylpropanenitrile
CID 61466785
4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
CID 80695979
N'-(3-chloro-4-ethoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198257
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 130604516
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281
(4-chloro-3-fluorophenyl)hydrazine
CID 53413991
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
N'-(6-methoxynaphthalen-2-yl)-2-methylpropane-1,3-diamine
CID 115198334
3-N-(3,4-difluorophenyl)propane-1,2,3-triamine
CID 115119376

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine (CID 130604425) is N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine is CC(CN)CNc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine?
The InChIKey is PNUQYSYUEFXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-7(5-13)6-14-8-2-3-9(11)10(12)4-8/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine?
N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine has a molecular weight of 216.69 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 130604425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).