N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine

C15H21ClFN — CID 63038280

IUPACN-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFN/c1-3-15(4-2,10-18-12-6-7-12)13-8-5-11(17)9-14(13)16/h5,8-9,12,18H,3-4,6-7,10H2,1-2H3
InChIKeyXKECMHFLYLOERA-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine

N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine (PubChem CID 63038280) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine
PubChem CID63038280
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFN/c1-3-15(4-2,10-18-12-6-7-12)13-8-5-11(17)9-14(13)16/h5,8-9,12,18H,3-4,6-7,10H2,1-2H3
InChIKeyXKECMHFLYLOERA-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63512438
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
CID 111122934
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 62595704
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
N-[(2-chloro-5-fluorophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123298
N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
CID 115118563
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine (CID 63038280) is N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine is CCC(CC)(CNC1CC1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine?
The InChIKey is XKECMHFLYLOERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-3-15(4-2,10-18-12-6-7-12)13-8-5-11(17)9-14(13)16/h5,8-9,12,18H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine?
N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine has a molecular weight of 269.79 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine is sourced from PubChem (CID 63038280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).