N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine

C15H20ClN — CID 65008338

IUPACN-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
SMILESCCNCC1(c2ccccc2Cl)CC2(CC2)C1
InChIInChI=1S/C15H20ClN/c1-2-17-11-15(9-14(10-15)7-8-14)12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3
InChIKeyQMZXWZJXVOBBCU-UHFFFAOYSA-N
MW249.78 g/mol
LogP3.76
Rot. Bonds4

About N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine

N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine (PubChem CID 65008338) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
PubChem CID65008338
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC NameN-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
SMILESCCNCC1(c2ccccc2Cl)CC2(CC2)C1
InChIInChI=1S/C15H20ClN/c1-2-17-11-15(9-14(10-15)7-8-14)12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3
InChIKeyQMZXWZJXVOBBCU-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
CID 65009448
1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008337
N-[[2-(2-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65003123
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008193
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[[5-(2-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008448
N-[[1-(2,6-dichlorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
CID 65003717
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008933
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008248

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine (CID 65008338) is N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine is CCNCC1(c2ccccc2Cl)CC2(CC2)C1.
What is the InChIKey of N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
The InChIKey is QMZXWZJXVOBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-2-17-11-15(9-14(10-15)7-8-14)12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine?
N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine has a molecular weight of 249.78 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine is sourced from PubChem (CID 65008338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).