[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine

C16H23ClN2 — CID 55165060

IUPAC[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
SMILESNCc1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c17-14-11-13(12-18)3-4-15(14)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2
InChIKeyLWGWCLLJHGVTDR-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.96
Rot. Bonds2

About [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine

[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine (PubChem CID 55165060) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
PubChem CID55165060
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine
SMILESNCc1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c17-14-11-13(12-18)3-4-15(14)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2
InChIKeyLWGWCLLJHGVTDR-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[2-chloro-4-(chloromethyl)phenyl]-8-azaspiro[4.5]decane
CID 81151754
[4-(8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]methanamine
CID 63156540
4-(3-azaspiro[5.5]undecan-3-yl)-3-chloroaniline
CID 55133879
[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]methanamine
CID 63089006
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorobenzonitrile
CID 63510167
[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742904
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine
CID 3054967
[4-(8-azaspiro[4.5]decan-8-yl)-2,3-difluorophenyl]methanamine
CID 107932929
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
CID 104834515

Frequently Asked Questions

What is the IUPAC name of [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine?
The IUPAC name of [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine (CID 55165060) is [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine.
What is the SMILES notation for [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine?
The canonical SMILES for [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine is NCc1ccc(N2CCC3(CCCC3)CC2)c(Cl)c1.
What is the InChIKey of [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine?
The InChIKey is LWGWCLLJHGVTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-14-11-13(12-18)3-4-15(14)19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11H,1-2,5-10,12,18H2.
What are the key properties of [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine?
[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine has a molecular weight of 278.83 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]methanamine is sourced from PubChem (CID 55165060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).