N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine

C17H25NO2 — CID 159638665

IUPACN-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine
SMILESCOc1ccc(CNC2COCC23CCCCC3)cc1
InChIInChI=1S/C17H25NO2/c1-19-15-7-5-14(6-8-15)11-18-16-12-20-13-17(16)9-3-2-4-10-17/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyIUYHRLVBQRIRMF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine

N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine (PubChem CID 159638665) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine
PubChem CID159638665
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine
SMILESCOc1ccc(CNC2COCC23CCCCC3)cc1
InChIInChI=1S/C17H25NO2/c1-19-15-7-5-14(6-8-15)11-18-16-12-20-13-17(16)9-3-2-4-10-17/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyIUYHRLVBQRIRMF-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
(5R,6S)-6-[(4-methoxyphenyl)methylamino]-2,2-dimethyl-1,3-dioxepan-5-ol
CID 169210448
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804
2-N-[(4-methoxyphenyl)methyl]-1-N-methylcyclohexane-1,2-diamine
CID 167008714
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
N-[(4-methoxyphenyl)methyl]-4,4-dimethylthian-3-amine
CID 79952105

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine (CID 159638665) is N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine is COc1ccc(CNC2COCC23CCCCC3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine?
The InChIKey is IUYHRLVBQRIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-15-7-5-14(6-8-15)11-18-16-12-20-13-17(16)9-3-2-4-10-17/h5-8,16,18H,2-4,9-13H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine?
N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-oxaspiro[4.5]decan-4-amine is sourced from PubChem (CID 159638665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).