N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine

C14H20ClN — CID 66161100

IUPACN-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)Cc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C14H20ClN/c1-10(2)7-11-3-4-13(15)8-12(11)9-16-14-5-6-14/h3-4,8,10,14,16H,5-7,9H2,1-2H3
InChIKeyKYRWKUMAGBJGDM-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.79
Rot. Bonds5

About N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine (PubChem CID 66161100) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
PubChem CID66161100
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)Cc1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C14H20ClN/c1-10(2)7-11-3-4-13(15)8-12(11)9-16-14-5-6-14/h3-4,8,10,14,16H,5-7,9H2,1-2H3
InChIKeyKYRWKUMAGBJGDM-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]cyclopropanamine
CID 63424453
N-[[5-chloro-2-(4-ethylphenyl)phenyl]methyl]cyclopropanamine
CID 66158934
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 43278086

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine (CID 66161100) is N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine is CC(C)Cc1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine?
The InChIKey is KYRWKUMAGBJGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10(2)7-11-3-4-13(15)8-12(11)9-16-14-5-6-14/h3-4,8,10,14,16H,5-7,9H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine has a molecular weight of 237.77 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 66161100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).