N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

C16H20ClN — CID 65008821

IUPACN-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(C2(CNC3CC3)CC3(CC3)C2)c1
InChIInChI=1S/C16H20ClN/c17-13-3-1-2-12(8-13)16(11-18-14-4-5-14)9-15(10-16)6-7-15/h1-3,8,14,18H,4-7,9-11H2
InChIKeyFFPQBSTZEOQQNR-UHFFFAOYSA-N
MW261.80 g/mol
LogP3.90
Rot. Bonds4

About N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine

N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (PubChem CID 65008821) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
PubChem CID65008821
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC NameN-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(C2(CNC3CC3)CC3(CC3)C2)c1
InChIInChI=1S/C16H20ClN/c17-13-3-1-2-12(8-13)16(11-18-14-4-5-14)9-15(10-16)6-7-15/h1-3,8,14,18H,4-7,9-11H2
InChIKeyFFPQBSTZEOQQNR-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009010
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
N-[[2-(3-bromophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009612
N-[[2-(3-fluorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65002883
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008765
N-[[2-(3,4-dichlorophenyl)spiro[3.3]heptan-2-yl]methyl]cyclopropanamine
CID 65009127
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65002677
[2-(3-chlorophenyl)spiro[3.6]decan-2-yl]methanamine
CID 65007393
N-[[5-(4-tert-butylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008561
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine (CID 65008821) is N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is Clc1cccc(C2(CNC3CC3)CC3(CC3)C2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
The InChIKey is FFPQBSTZEOQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN/c17-13-3-1-2-12(8-13)16(11-18-14-4-5-14)9-15(10-16)6-7-15/h1-3,8,14,18H,4-7,9-11H2.
What are the key properties of N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine?
N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine has a molecular weight of 261.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65008821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).