1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine

C15H24ClFN2 — CID 103048857

IUPAC1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1cc(Cl)ccc1F)N(C)C
InChIInChI=1S/C15H24ClFN2/c1-5-15(6-2,19(3)4)14(18)10-11-9-12(16)7-8-13(11)17/h7-9,14H,5-6,10,18H2,1-4H3
InChIKeyYUVJMJJXJXDOIH-UHFFFAOYSA-N
MW286.82 g/mol
LogP3.47
Rot. Bonds6

About 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine

1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine (PubChem CID 103048857) has the molecular formula C15H24ClFN2 and a molecular weight of 286.82 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
PubChem CID103048857
Molecular FormulaC15H24ClFN2
Molecular Weight286.82 g/mol
Exact Mass286.16
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1cc(Cl)ccc1F)N(C)C
InChIInChI=1S/C15H24ClFN2/c1-5-15(6-2,19(3)4)14(18)10-11-9-12(16)7-8-13(11)17/h7-9,14H,5-6,10,18H2,1-4H3
InChIKeyYUVJMJJXJXDOIH-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-ol
CID 79062622
[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 103053845
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
CID 115862976
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 103040222
2-[(5-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 103049601
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634
1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
1-(3-chloro-2-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 102857727
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine (CID 103048857) is 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine is CCC(CC)(C(N)Cc1cc(Cl)ccc1F)N(C)C.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
The InChIKey is YUVJMJJXJXDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFN2/c1-5-15(6-2,19(3)4)14(18)10-11-9-12(16)7-8-13(11)17/h7-9,14H,5-6,10,18H2,1-4H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine?
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine has a molecular weight of 286.82 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 103048857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).