1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine

C15H22ClNO — CID 64549560

IUPAC1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
SMILESNC1(COCc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C15H22ClNO/c16-14-8-4-3-7-13(14)11-18-12-15(17)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-12,17H2
InChIKeyZHLDMDJONAEFNV-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.91
Rot. Bonds4

About 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine

1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine (PubChem CID 64549560) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
PubChem CID64549560
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine
SMILESNC1(COCc2ccccc2Cl)CCCCCC1
InChIInChI=1S/C15H22ClNO/c16-14-8-4-3-7-13(14)11-18-12-15(17)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-12,17H2
InChIKeyZHLDMDJONAEFNV-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine?
The IUPAC name of 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine (CID 64549560) is 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine is NC1(COCc2ccccc2Cl)CCCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine?
The InChIKey is ZHLDMDJONAEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-8-4-3-7-13(14)11-18-12-15(17)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-12,17H2.
What are the key properties of 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine?
1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxymethyl]cycloheptan-1-amine is sourced from PubChem (CID 64549560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).