N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

C17H22ClN — CID 65009010

IUPACN-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(C2(CNC3CC3)CC3(CCC3)C2)c1
InChIInChI=1S/C17H22ClN/c18-14-4-1-3-13(9-14)17(12-19-15-5-6-15)10-16(11-17)7-2-8-16/h1,3-4,9,15,19H,2,5-8,10-12H2
InChIKeyVWSATBIXVACNJD-UHFFFAOYSA-N
MW275.82 g/mol
LogP4.29
Rot. Bonds4

About N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine

N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (PubChem CID 65009010) has the molecular formula C17H22ClN and a molecular weight of 275.82 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
PubChem CID65009010
Molecular FormulaC17H22ClN
Molecular Weight275.82 g/mol
Exact Mass275.14
IUPAC NameN-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
SMILESClc1cccc(C2(CNC3CC3)CC3(CCC3)C2)c1
InChIInChI=1S/C17H22ClN/c18-14-4-1-3-13(9-14)17(12-19-15-5-6-15)10-16(11-17)7-2-8-16/h1,3-4,9,15,19H,2,5-8,10-12H2
InChIKeyVWSATBIXVACNJD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008821
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65002677
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009606
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
N-[[1-(3-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62595905
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine (CID 65009010) is N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is Clc1cccc(C2(CNC3CC3)CC3(CCC3)C2)c1.
What is the InChIKey of N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
The InChIKey is VWSATBIXVACNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN/c18-14-4-1-3-13(9-14)17(12-19-15-5-6-15)10-16(11-17)7-2-8-16/h1,3-4,9,15,19H,2,5-8,10-12H2.
What are the key properties of N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine?
N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine has a molecular weight of 275.82 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65009010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).