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

C19H29NO — CID 104978861

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
SMILESCOc1ccccc1[C@H](C)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C19H29NO/c1-15(17-7-3-4-8-18(17)21-2)20-16-9-13-19(14-10-16)11-5-6-12-19/h3-4,7-8,15-16,20H,5-6,9-14H2,1-2H3/t15-/m0/s1
InChIKeySBOKSTZAELGODD-HNNXBMFYSA-N
MW287.45 g/mol
LogP4.85
Rot. Bonds4

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

N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine (PubChem CID 104978861) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
PubChem CID104978861
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
SMILESCOc1ccccc1[C@H](C)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C19H29NO/c1-15(17-7-3-4-8-18(17)21-2)20-16-9-13-19(14-10-16)11-5-6-12-19/h3-4,7-8,15-16,20H,5-6,9-14H2,1-2H3/t15-/m0/s1
InChIKeySBOKSTZAELGODD-HNNXBMFYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
N-[1-(2-methoxyphenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 43202101
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[1-(2-methoxyphenyl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104585233
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine (CID 104978861) is N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine is COc1ccccc1[C@H](C)NC1CCC2(CCCC2)CC1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine?
The InChIKey is SBOKSTZAELGODD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(17-7-3-4-8-18(17)21-2)20-16-9-13-19(14-10-16)11-5-6-12-19/h3-4,7-8,15-16,20H,5-6,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine?
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine has a molecular weight of 287.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 104978861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).