N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine

C17H29NO2 — CID 62108054

IUPACN-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCOCCCOC(CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H29NO2/c1-14-7-9-15(10-8-14)16(13-18-17(2,3)4)20-12-6-11-19-5/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyPWCCVDPQMBTALN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.48
Rot. Bonds8

About N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine

N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 62108054) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
PubChem CID62108054
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
SMILESCOCCCOC(CNC(C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H29NO2/c1-14-7-9-15(10-8-14)16(13-18-17(2,3)4)20-12-6-11-19-5/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyPWCCVDPQMBTALN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-[2-(3-methoxypropoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 62108762
N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62108236
N-ethyl-2-[2-(3-methoxypropoxy)ethoxy]-2-(4-methylphenyl)ethanamine
CID 103180425
N-[2-(4-bromophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 63475206
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
N-[2-(4-bromophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62107369
N-[2-(2-methoxyethoxy)-2-(2-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 55036431
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]-2-methylpropan-2-amine
CID 106204958

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine (CID 62108054) is N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine is COCCCOC(CNC(C)(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is PWCCVDPQMBTALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14-7-9-15(10-8-14)16(13-18-17(2,3)4)20-12-6-11-19-5/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine?
N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).