N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine

C16H23NO2 — CID 71648283

IUPACN-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
SMILESCOc1ccc(CC2COCCC2NC2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-18-15-6-2-12(3-7-15)10-13-11-19-9-8-16(13)17-14-4-5-14/h2-3,6-7,13-14,16-17H,4-5,8-11H2,1H3
InChIKeyPAYCPZVADQCWQQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.39
Rot. Bonds5

About N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine

N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine (PubChem CID 71648283) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
PubChem CID71648283
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine
SMILESCOc1ccc(CC2COCCC2NC2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-18-15-6-2-12(3-7-15)10-13-11-19-9-8-16(13)17-14-4-5-14/h2-3,6-7,13-14,16-17H,4-5,8-11H2,1H3
InChIKeyPAYCPZVADQCWQQ-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine?
The IUPAC name of N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine (CID 71648283) is N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine.
What is the SMILES notation for N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine?
The canonical SMILES for N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine is COc1ccc(CC2COCCC2NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine?
The InChIKey is PAYCPZVADQCWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-6-2-12(3-7-15)10-13-11-19-9-8-16(13)17-14-4-5-14/h2-3,6-7,13-14,16-17H,4-5,8-11H2,1H3.
What are the key properties of N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine?
N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine has a molecular weight of 261.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methoxyphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 71648283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).