1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine

C14H18ClN — CID 65008337

IUPAC1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
SMILESCNCC1(c2ccccc2Cl)CC2(CC2)C1
InChIInChI=1S/C14H18ClN/c1-16-10-14(8-13(9-14)6-7-13)11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3
InChIKeySWNPDQRGIVZWDY-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.37
Rot. Bonds3

About 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine

1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine (PubChem CID 65008337) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
PubChem CID65008337
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
SMILESCNCC1(c2ccccc2Cl)CC2(CC2)C1
InChIInChI=1S/C14H18ClN/c1-16-10-14(8-13(9-14)6-7-13)11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3
InChIKeySWNPDQRGIVZWDY-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]methyl]ethanamine
CID 65008338
1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008881
N-[[2-(2-chlorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-1-amine
CID 65009448
N-[[2-(2-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65003123
1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006915
1-[2-(2-bromophenyl)spiro[3.3]heptan-2-yl]-N-methylmethanamine
CID 65009563
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007206
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
[2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 65006500
N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine (CID 65008337) is 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine is CNCC1(c2ccccc2Cl)CC2(CC2)C1.
What is the InChIKey of 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
The InChIKey is SWNPDQRGIVZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-16-10-14(8-13(9-14)6-7-13)11-4-2-3-5-12(11)15/h2-5,16H,6-10H2,1H3.
What are the key properties of 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine has a molecular weight of 235.76 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65008337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).