N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine

C15H22ClFN2 — CID 169245658

IUPACN'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(C)C(c1cccc(Cl)c1F)N(CCN)C1CC1
InChIInChI=1S/C15H22ClFN2/c1-10(2)15(19(9-8-18)11-6-7-11)12-4-3-5-13(16)14(12)17/h3-5,10-11,15H,6-9,18H2,1-2H3
InChIKeyOKQQQAGVYPRJGG-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.60
Rot. Bonds6

About N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine

N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 169245658) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID169245658
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(C)C(c1cccc(Cl)c1F)N(CCN)C1CC1
InChIInChI=1S/C15H22ClFN2/c1-10(2)15(19(9-8-18)11-6-7-11)12-4-3-5-13(16)14(12)17/h3-5,10-11,15H,6-9,18H2,1-2H3
InChIKeyOKQQQAGVYPRJGG-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]-N'-cyclopropylethane-1,2-diamine
CID 169245652
3-[1-[2-aminoethyl(cyclopropyl)amino]-2-methylpropyl]-2-fluorobenzonitrile;2,2,2-trifluoroacetic acid
CID 175947939
N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 172563117
1-(3-chloro-2-fluorophenyl)-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114487836
1-(2-chlorophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55022414
1-N-butyl-1-(2-chlorophenyl)-1-N-cyclopropylpropane-1,2-diamine
CID 55022321
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
1-chloro-2-fluoro-3-[(2S)-3-methylbutan-2-yl]benzene
CID 147465889
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid
CID 122082931
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine (CID 169245658) is N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine is CC(C)C(c1cccc(Cl)c1F)N(CCN)C1CC1.
What is the InChIKey of N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is OKQQQAGVYPRJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10(2)15(19(9-8-18)11-6-7-11)12-4-3-5-13(16)14(12)17/h3-5,10-11,15H,6-9,18H2,1-2H3.
What are the key properties of N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine?
N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 284.81 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chloro-2-fluorophenyl)-2-methylpropyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 169245658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).