N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine

C17H29NO2 — CID 54847727

IUPACN-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCOc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C17H29NO2/c1-6-7-8-11-20-15-10-9-14(12-16(15)19-5)13-18-17(2,3)4/h9-10,12,18H,6-8,11,13H2,1-5H3
InChIKeyKWYXGNNCEDWDKA-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds8

About N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 54847727) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID54847727
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCCCOc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C17H29NO2/c1-6-7-8-11-20-15-10-9-14(12-16(15)19-5)13-18-17(2,3)4/h9-10,12,18H,6-8,11,13H2,1-5H3
InChIKeyKWYXGNNCEDWDKA-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.15
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-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
3-methoxy-N-[(3-methoxy-4-pentoxyphenyl)methyl]propan-1-amine
CID 54849470
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
CID 115621687

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine (CID 54847727) is N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine is CCCCCOc1ccc(CNC(C)(C)C)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is KWYXGNNCEDWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-7-8-11-20-15-10-9-14(12-16(15)19-5)13-18-17(2,3)4/h9-10,12,18H,6-8,11,13H2,1-5H3.
What are the key properties of N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 54847727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).