N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C16H22ClNO2 — CID 28646531

IUPACN-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESClc1ccc(CCNC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22ClNO2/c17-14-3-1-13(2-4-14)7-10-18-15-5-8-16(9-6-15)19-11-12-20-16/h1-4,15,18H,5-12H2
InChIKeyLXQUHWODVJGUJV-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 28646531) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID28646531
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESClc1ccc(CCNC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H22ClNO2/c17-14-3-1-13(2-4-14)7-10-18-15-5-8-16(9-6-15)19-11-12-20-16/h1-4,15,18H,5-12H2
InChIKeyLXQUHWODVJGUJV-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1,4-dioxaspiro[4.5]decan-8-ylamino)ethyl]phenol
CID 61238378
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
[4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]phenyl]methanol
CID 107229803
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
N-[2-(1,3-thiazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 63829725
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
N-[3-(4-chlorophenyl)propyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 154794434
N-[2-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335523
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
4-[2-(4-chlorophenyl)ethylamino]piperidine-1-carboxamide
CID 43767026
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 28646531) is N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is Clc1ccc(CCNC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is LXQUHWODVJGUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-14-3-1-13(2-4-14)7-10-18-15-5-8-16(9-6-15)19-11-12-20-16/h1-4,15,18H,5-12H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 295.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 28646531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).