1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine

C14H17Cl2N — CID 65008881

IUPAC1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)cc2Cl)CC2(CC2)C1
InChIInChI=1S/C14H17Cl2N/c1-17-9-14(7-13(8-14)4-5-13)11-3-2-10(15)6-12(11)16/h2-3,6,17H,4-5,7-9H2,1H3
InChIKeyHBRVYTKDHSQFJJ-UHFFFAOYSA-N
MW270.20 g/mol
LogP4.02
Rot. Bonds3

About 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine

1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine (PubChem CID 65008881) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
PubChem CID65008881
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Cl)cc2Cl)CC2(CC2)C1
InChIInChI=1S/C14H17Cl2N/c1-17-9-14(7-13(8-14)4-5-13)11-3-2-10(15)6-12(11)16/h2-3,6,17H,4-5,7-9H2,1H3
InChIKeyHBRVYTKDHSQFJJ-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine (CID 65008881) is 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine is CNCC1(c2ccc(Cl)cc2Cl)CC2(CC2)C1.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
The InChIKey is HBRVYTKDHSQFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c1-17-9-14(7-13(8-14)4-5-13)11-3-2-10(15)6-12(11)16/h2-3,6,17H,4-5,7-9H2,1H3.
What are the key properties of 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine?
1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine has a molecular weight of 270.20 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine is sourced from PubChem (CID 65008881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).