N-[(4-butoxyphenyl)methyl]oxan-3-amine

C16H25NO2 — CID 63360097

IUPACN-[(4-butoxyphenyl)methyl]oxan-3-amine
SMILESCCCCOc1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-11-19-16-8-6-14(7-9-16)12-17-15-5-4-10-18-13-15/h6-9,15,17H,2-5,10-13H2,1H3
InChIKeyWSWUUFWPCTWOQC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds7

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

N-[(4-butoxyphenyl)methyl]oxan-3-amine (PubChem CID 63360097) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]oxan-3-amine
PubChem CID63360097
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(4-butoxyphenyl)methyl]oxan-3-amine
SMILESCCCCOc1ccc(CNC2CCCOC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-3-11-19-16-8-6-14(7-9-16)12-17-15-5-4-10-18-13-15/h6-9,15,17H,2-5,10-13H2,1H3
InChIKeyWSWUUFWPCTWOQC-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
N-[[4-(diethylamino)phenyl]methyl]oxan-3-amine
CID 63360053
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
1-(4-ethylphenoxy)-3-(oxan-3-ylamino)propan-2-ol
CID 63363406
N-[(4-butoxyphenyl)methyl]-3,3-difluorocyclobutan-1-amine
CID 167311863
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]oxan-3-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]oxan-3-amine (CID 63360097) is N-[(4-butoxyphenyl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]oxan-3-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]oxan-3-amine is CCCCOc1ccc(CNC2CCCOC2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]oxan-3-amine?
The InChIKey is WSWUUFWPCTWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-11-19-16-8-6-14(7-9-16)12-17-15-5-4-10-18-13-15/h6-9,15,17H,2-5,10-13H2,1H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]oxan-3-amine?
N-[(4-butoxyphenyl)methyl]oxan-3-amine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]oxan-3-amine is sourced from PubChem (CID 63360097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).