1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

C18H26ClNO — CID 79908703

IUPAC1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H26ClNO/c1-20-17(15-7-3-4-8-16(15)19)14-9-12-21-18(13-14)10-5-2-6-11-18/h3-4,7-8,14,17,20H,2,5-6,9-13H2,1H3
InChIKeyBQQFZEJAFFVERT-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine

1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (PubChem CID 79908703) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
PubChem CID79908703
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
SMILESCNC(c1ccccc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H26ClNO/c1-20-17(15-7-3-4-8-16(15)19)14-9-12-21-18(13-14)10-5-2-6-11-18/h3-4,7-8,14,17,20H,2,5-6,9-13H2,1H3
InChIKeyBQQFZEJAFFVERT-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016652
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010358
2-(2-chlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908675
1-(3-fluorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79906920
N-methyl-1-(5-methylthiophen-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105016176
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476
1-(2,6-difluorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79907559
2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
CID 105223968
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine (CID 79908703) is 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is CNC(c1ccccc1Cl)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
The InChIKey is BQQFZEJAFFVERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-20-17(15-7-3-4-8-16(15)19)14-9-12-21-18(13-14)10-5-2-6-11-18/h3-4,7-8,14,17,20H,2,5-6,9-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine?
1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine has a molecular weight of 307.86 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine is sourced from PubChem (CID 79908703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).