N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

C15H20ClNO — CID 79897702

IUPACN-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESClc1ccccc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C15H20ClNO/c16-14-5-2-1-4-12(14)11-17-13-6-9-18-15(10-13)7-3-8-15/h1-2,4-5,13,17H,3,6-11H2
InChIKeyLAELFLYUDKBBIG-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.53
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine

N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897702) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897702
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
SMILESClc1ccccc1CNC1CCOC2(CCC2)C1
InChIInChI=1S/C15H20ClNO/c16-14-5-2-1-4-12(14)11-17-13-6-9-18-15(10-13)7-3-8-15/h1-2,4-5,13,17H,3,6-11H2
InChIKeyLAELFLYUDKBBIG-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903292
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
N-[2-(2-methylphenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903710
N-[(2,4-difluorophenyl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895902
N-[2-(2,4-dichlorophenyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79897553
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
N-[(4R)-9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98894396
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908675
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine (CID 79897702) is N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is Clc1ccccc1CNC1CCOC2(CCC2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is LAELFLYUDKBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-14-5-2-1-4-12(14)11-17-13-6-9-18-15(10-13)7-3-8-15/h1-2,4-5,13,17H,3,6-11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine?
N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 265.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).