2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine

C11H16ClFN2 — CID 115131945

IUPAC2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-11(2,7-14)15-6-8-3-4-10(13)9(12)5-8/h3-5,15H,6-7,14H2,1-2H3
InChIKeyYGCROVOJEBJVCZ-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.31
Rot. Bonds4

About 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine

2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 115131945) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
PubChem CID115131945
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-11(2,7-14)15-6-8-3-4-10(13)9(12)5-8/h3-5,15H,6-7,14H2,1-2H3
InChIKeyYGCROVOJEBJVCZ-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 75355894
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
3-N-[2-(3-chloro-4-fluorophenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134949
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
1-(3-chloro-4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 82649708
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
(2R)-2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutanamide
CID 99828862
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]aniline
CID 81143930
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine (CID 115131945) is 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine is CC(C)(CN)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is YGCROVOJEBJVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-11(2,7-14)15-6-8-3-4-10(13)9(12)5-8/h3-5,15H,6-7,14H2,1-2H3.
What are the key properties of 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine?
2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).