N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

C14H19ClFN — CID 62714592

IUPACN-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-14(2,3)17-8-10-6-11(10)9-4-5-12(15)13(16)7-9/h4-5,7,10-11,17H,6,8H2,1-3H3
InChIKeyYCKAJUVNHRKRJR-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.97
Rot. Bonds3

About N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 62714592) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID62714592
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC1c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H19ClFN/c1-14(2,3)17-8-10-6-11(10)9-4-5-12(15)13(16)7-9/h4-5,7,10-11,17H,6,8H2,1-3H3
InChIKeyYCKAJUVNHRKRJR-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 81166279
4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
CID 81350329
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62712077
2-methyl-N-[(2-pyridin-4-ylcyclopropyl)methyl]propan-2-amine
CID 62713515
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
2-methyl-N-[[2-(1-methyl-2,3-dihydroindol-5-yl)cyclopropyl]methyl]propan-2-amine
CID 62714046
N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 107290751
4-[2-(bromomethyl)cyclopropyl]-2-chloro-1-fluorobenzene
CID 81351147
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024853
N-[[2-(2,5-dichlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033499
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
N-[[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034139

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine (CID 62714592) is N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CC1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YCKAJUVNHRKRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-14(2,3)17-8-10-6-11(10)9-4-5-12(15)13(16)7-9/h4-5,7,10-11,17H,6,8H2,1-3H3.
What are the key properties of N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.76 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62714592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).