N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine

C17H24ClN — CID 63516646

IUPACN-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
SMILESClc1ccccc1C1(CNC2CC2)CCCCCC1
InChIInChI=1S/C17H24ClN/c18-16-8-4-3-7-15(16)17(13-19-14-9-10-14)11-5-1-2-6-12-17/h3-4,7-8,14,19H,1-2,5-6,9-13H2
InChIKeyXZSOJIUIFSGIQX-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.68
Rot. Bonds4

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

N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine (PubChem CID 63516646) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
PubChem CID63516646
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
SMILESClc1ccccc1C1(CNC2CC2)CCCCCC1
InChIInChI=1S/C17H24ClN/c18-16-8-4-3-7-15(16)17(13-19-14-9-10-14)11-5-1-2-6-12-17/h3-4,7-8,14,19H,1-2,5-6,9-13H2
InChIKeyXZSOJIUIFSGIQX-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
CID 82805310
N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62829692
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
CID 65013814
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]thian-4-amine
CID 119124486
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79678984
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine (CID 63516646) is N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine is Clc1ccccc1C1(CNC2CC2)CCCCCC1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is XZSOJIUIFSGIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c18-16-8-4-3-7-15(16)17(13-19-14-9-10-14)11-5-1-2-6-12-17/h3-4,7-8,14,19H,1-2,5-6,9-13H2.
What are the key properties of N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 277.84 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 63516646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).