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

C11H16ClFN2 — CID 116938921

IUPAC1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)C(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-11(2,15-3)10(14)7-4-5-9(13)8(12)6-7/h4-6,10,15H,14H2,1-3H3
InChIKeyYTPPRFYYIIFQQX-UHFFFAOYSA-N
MW230.71 g/mol
LogP2.48
Rot. Bonds3

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

1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 116938921) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID116938921
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)C(N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H16ClFN2/c1-11(2,15-3)10(14)7-4-5-9(13)8(12)6-7/h4-6,10,15H,14H2,1-3H3
InChIKeyYTPPRFYYIIFQQX-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-chloro-4-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246807
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(1R)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171249553
2-N,2-dimethyl-1-(6-methylnaphthalen-2-yl)propane-1,2-diamine
CID 116938972
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
ethyl (3S)-3-amino-3-(3-chloro-4-fluorophenyl)-2,2-difluoropropanoate
CID 171246798
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
1-(3-chloro-4-fluorophenyl)-2-methylsulfanylethanamine
CID 116830314
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 116938921) is 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)C(N)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is YTPPRFYYIIFQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-11(2,15-3)10(14)7-4-5-9(13)8(12)6-7/h4-6,10,15H,14H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine?
1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 230.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 116938921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).