N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

C16H23ClFN — CID 107897591

IUPACN-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H23ClFN/c1-11(2)16(3,10-19-13-5-6-13)9-12-4-7-14(17)15(18)8-12/h4,7-8,11,13,19H,5-6,9-10H2,1-3H3
InChIKeyKYXXHGGOXXMTKX-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 107897591) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID107897591
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H23ClFN/c1-11(2)16(3,10-19-13-5-6-13)9-12-4-7-14(17)15(18)8-12/h4,7-8,11,13,19H,5-6,9-10H2,1-3H3
InChIKeyKYXXHGGOXXMTKX-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine with MolForge

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Related Compounds

2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 107897588
2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 107895015
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
N-[(4-chloro-3-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454462
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151545
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
2-[(4-chloro-3-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 107889838
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
1-chloro-4-(3-chloro-2-cyclopropyl-2-methylpropyl)-2-fluorobenzene
CID 107893302

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 107897591) is N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is KYXXHGGOXXMTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-11(2)16(3,10-19-13-5-6-13)9-12-4-7-14(17)15(18)8-12/h4,7-8,11,13,19H,5-6,9-10H2,1-3H3.
What are the key properties of N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 283.82 g/mol, XLogP of 4.44, 6 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)methyl]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 107897591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).