N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine

C16H27NO2 — CID 112587403

IUPACN-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)OCCOC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-13(18-11-12-19-16(2,3)4)15(17-5)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3
InChIKeyGSFJINKDNKDDNP-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.17
Rot. Bonds7

About N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine

N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine (PubChem CID 112587403) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
PubChem CID112587403
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)OCCOC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-13(18-11-12-19-16(2,3)4)15(17-5)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3
InChIKeyGSFJINKDNKDDNP-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.17
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-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
CID 115942665
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-one
CID 112588356
2-(2-cyclopropylethoxy)-N,3-dimethyl-1-phenylbutan-1-amine
CID 106200702
2-(2-cyclopropylethoxy)-N-methyl-1-phenylbutan-1-amine
CID 106200514
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
2-[(2-methylpropan-2-yl)oxy]ethyl 3-phenylbutanoate
CID 160511208
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
N-(2-methyl-1-phenylpropyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605048

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine?
The IUPAC name of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine (CID 112587403) is N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine?
The canonical SMILES for N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)OCCOC(C)(C)C.
What is the InChIKey of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine?
The InChIKey is GSFJINKDNKDDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(18-11-12-19-16(2,3)4)15(17-5)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3.
What are the key properties of N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine?
N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-phenylpropan-1-amine is sourced from PubChem (CID 112587403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).