(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

C23H29NO3 — CID 96577043

IUPAC(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1ccc(COc2cccc(CN[C@@H]3CCOC4(CCOCC4)C3)c2)cc1
InChIInChI=1S/C23H29NO3/c1-2-5-19(6-3-1)18-26-22-8-4-7-20(15-22)17-24-21-9-12-27-23(16-21)10-13-25-14-11-23/h1-8,15,21,24H,9-14,16-18H2/t21-/m1/s1
InChIKeyGYWQJSASNWFJHR-OAQYLSRUSA-N
MW367.49 g/mol
LogP4.08
Rot. Bonds6

About (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine

(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (PubChem CID 96577043) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
PubChem CID96577043
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
SMILESc1ccc(COc2cccc(CN[C@@H]3CCOC4(CCOCC4)C3)c2)cc1
InChIInChI=1S/C23H29NO3/c1-2-5-19(6-3-1)18-26-22-8-4-7-20(15-22)17-24-21-9-12-27-23(16-21)10-13-25-14-11-23/h1-8,15,21,24H,9-14,16-18H2/t21-/m1/s1
InChIKeyGYWQJSASNWFJHR-OAQYLSRUSA-N
XLogP4.08
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894908
[3-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230719
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
4-[(1,9-dioxaspiro[5.5]undecan-4-ylamino)methyl]benzonitrile
CID 79902616
N-[2-(3-methylphenyl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79899591
(4S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96575038
N-phenylmethoxy-5-oxaspiro[3.5]nonan-8-amine
CID 79903838
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459
N-(2-phenoxyethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899028
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The IUPAC name of (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine (CID 96577043) is (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The canonical SMILES for (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is c1ccc(COc2cccc(CN[C@@H]3CCOC4(CCOCC4)C3)c2)cc1.
What is the InChIKey of (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
The InChIKey is GYWQJSASNWFJHR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29NO3/c1-2-5-19(6-3-1)18-26-22-8-4-7-20(15-22)17-24-21-9-12-27-23(16-21)10-13-25-14-11-23/h1-8,15,21,24H,9-14,16-18H2/t21-/m1/s1.
What are the key properties of (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine?
(4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine has a molecular weight of 367.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3-phenylmethoxyphenyl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 96577043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).