N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine

C17H24ClN — CID 65013814

IUPACN-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
SMILESCCCC1CC(CNC2CC2)(c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN/c1-2-5-13-10-17(11-13,12-19-14-8-9-14)15-6-3-4-7-16(15)18/h3-4,6-7,13-14,19H,2,5,8-12H2,1H3
InChIKeyYVQDFFLQQHMGDR-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.54
Rot. Bonds6

About N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine

N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine (PubChem CID 65013814) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
PubChem CID65013814
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
SMILESCCCC1CC(CNC2CC2)(c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN/c1-2-5-13-10-17(11-13,12-19-14-8-9-14)15-6-3-4-7-16(15)18/h3-4,6-7,13-14,19H,2,5,8-12H2,1H3
InChIKeyYVQDFFLQQHMGDR-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 63516646
N-[(3-propyl-1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 65014158
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65013584
N-[[1-(3-chloro-2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 82791443
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998152
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79678984
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]thian-4-amine
CID 119124486
N-[[1-(2-bromophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 65011425
N-[[1-(2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methoxyethanamine
CID 65013702
N-[[1-(2,6-dichlorophenyl)-2-ethylcyclopropyl]methyl]cyclopropanamine
CID 113404780
N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
CID 82805310

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine (CID 65013814) is N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine is CCCC1CC(CNC2CC2)(c2ccccc2Cl)C1.
What is the InChIKey of N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine?
The InChIKey is YVQDFFLQQHMGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-2-5-13-10-17(11-13,12-19-14-8-9-14)15-6-3-4-7-16(15)18/h3-4,6-7,13-14,19H,2,5,8-12H2,1H3.
What are the key properties of N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine?
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine has a molecular weight of 277.84 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 65013814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).