N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine

C18H26ClN — CID 114817141

IUPACN-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
SMILESCC(NC1CCC2(CCCC2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H26ClN/c1-14(16-6-2-3-7-17(16)19)20-15-8-12-18(13-9-15)10-4-5-11-18/h2-3,6-7,14-15,20H,4-5,8-13H2,1H3
InChIKeyGAUNHOWRNCCPCH-UHFFFAOYSA-N
MW291.87 g/mol
LogP5.49
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine

N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine (PubChem CID 114817141) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
PubChem CID114817141
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC NameN-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
SMILESCC(NC1CCC2(CCCC2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H26ClN/c1-14(16-6-2-3-7-17(16)19)20-15-8-12-18(13-9-15)10-4-5-11-18/h2-3,6-7,14-15,20H,4-5,8-13H2,1H3
InChIKeyGAUNHOWRNCCPCH-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978841
N-[(1R)-1-(2-chlorophenyl)ethyl]thian-4-amine
CID 81376998
N-[1-(2-chlorophenyl)ethyl]oxan-4-amine
CID 43608488
N-[(1S)-1-(2-chlorophenyl)ethyl]oxepan-4-amine
CID 81377433
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585198
N-[1-(2-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981846
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-propylcyclohexan-1-amine
CID 29040454
N-[1-(2-chlorophenyl)ethyl]thian-3-amine
CID 62873606
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine (CID 114817141) is N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine is CC(NC1CCC2(CCCC2)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
The InChIKey is GAUNHOWRNCCPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-14(16-6-2-3-7-17(16)19)20-15-8-12-18(13-9-15)10-4-5-11-18/h2-3,6-7,14-15,20H,4-5,8-13H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine has a molecular weight of 291.87 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).