1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine

C16H22ClNO2 — CID 79913330

IUPAC1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
SMILESCC(N)(c1ccc(Cl)cc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22ClNO2/c1-15(18,12-2-4-14(17)5-3-12)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13H,6-11,18H2,1H3
InChIKeyUFAKSTGUDNEGTE-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.10
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine

1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 79913330) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID79913330
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
SMILESCC(N)(c1ccc(Cl)cc1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H22ClNO2/c1-15(18,12-2-4-14(17)5-3-12)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13H,6-11,18H2,1H3
InChIKeyUFAKSTGUDNEGTE-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-(4-fluorophenyl)ethanamine
CID 79907776
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(4-fluorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79912974
1-(4-methoxyphenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79907804
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-methoxypropan-2-amine
CID 79912770
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-thiophen-2-ylethanol
CID 79899168
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027
1-(2-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79913900

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine (CID 79913330) is 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine is CC(N)(c1ccc(Cl)cc1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is UFAKSTGUDNEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-15(18,12-2-4-14(17)5-3-12)13-6-8-20-16(10-13)7-9-19-11-16/h2-5,13H,6-11,18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine?
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 79913330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).