N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

C11H16ClFN2 — CID 115198408

IUPACN'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)c1cc(Cl)ccc1F
InChIInChI=1S/C11H16ClFN2/c1-8(6-14)7-15(2)11-5-9(12)3-4-10(11)13/h3-5,8H,6-7,14H2,1-2H3
InChIKeyPZOLOCUANRPYQD-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.51
Rot. Bonds4

About N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 115198408) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID115198408
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC NameN'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)c1cc(Cl)ccc1F
InChIInChI=1S/C11H16ClFN2/c1-8(6-14)7-15(2)11-5-9(12)3-4-10(11)13/h3-5,8H,6-7,14H2,1-2H3
InChIKeyPZOLOCUANRPYQD-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(5-chloro-2-fluoro-N-methylanilino)propan-2-ol
CID 115121269
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
N'-[(2,4-dichlorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 115198677
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 79840509
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
1-(5-chloro-2-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934210
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 114842869
2-amino-N-(5-chloro-2-fluorophenyl)-N-methylpropanamide
CID 115152312
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (CID 115198408) is N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is CC(CN)CN(C)c1cc(Cl)ccc1F.
What is the InChIKey of N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is PZOLOCUANRPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-8(6-14)7-15(2)11-5-9(12)3-4-10(11)13/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115198408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).