4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine

C18H29NO2 — CID 115758007

IUPAC4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
SMILESCCCCCOc1ccc(CNC2(C)CCOCC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-5-12-21-17-8-6-16(7-9-17)15-19-18(2)10-13-20-14-11-18/h6-9,19H,3-5,10-15H2,1-2H3
InChIKeyPIQJUAQTYXVWEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.91
Rot. Bonds8

About 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine

4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine (PubChem CID 115758007) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
PubChem CID115758007
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
SMILESCCCCCOc1ccc(CNC2(C)CCOCC2)cc1
InChIInChI=1S/C18H29NO2/c1-3-4-5-12-21-17-8-6-16(7-9-17)15-19-18(2)10-13-20-14-11-18/h6-9,19H,3-5,10-15H2,1-2H3
InChIKeyPIQJUAQTYXVWEZ-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.91
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

1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
CID 63456305
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
CID 103897453
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520257
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
1,4-dipentoxybenzene
CID 18314717
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine (CID 115758007) is 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine is CCCCCOc1ccc(CNC2(C)CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine?
The InChIKey is PIQJUAQTYXVWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-5-12-21-17-8-6-16(7-9-17)15-19-18(2)10-13-20-14-11-18/h6-9,19H,3-5,10-15H2,1-2H3.
What are the key properties of 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine?
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 115758007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).