2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine

C17H29NO — CID 56619995

IUPAC2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine
SMILESCC(CNCCCOC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H29NO/c1-15(13-16-9-6-5-7-10-16)14-18-11-8-12-19-17(2,3)4/h5-7,9-10,15,18H,8,11-14H2,1-4H3
InChIKeyHBAURCMZOTYTKH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.66
Rot. Bonds8

About 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine

2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine (PubChem CID 56619995) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine
PubChem CID56619995
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine
SMILESCC(CNCCCOC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H29NO/c1-15(13-16-9-6-5-7-10-16)14-18-11-8-12-19-17(2,3)4/h5-7,9-10,15,18H,8,11-14H2,1-4H3
InChIKeyHBAURCMZOTYTKH-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phenyl-N-(2-phenylethyl)propan-1-amine
CID 22955490
ethane;N-ethyl-2-methyl-3-phenylpropan-1-amine
CID 91246337
benzyl (2S)-2-[3-[(2-methylpropan-2-yl)oxy]propylamino]propanoate
CID 67506981
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
CID 114333309
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
2-methyl-N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-1-amine
CID 112587455
N-tert-butyl-3-methyl-4-phenylbutan-1-amine
CID 81018858
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
2-benzyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine (CID 56619995) is 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine is CC(CNCCCOC(C)(C)C)Cc1ccccc1.
What is the InChIKey of 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine?
The InChIKey is HBAURCMZOTYTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-15(13-16-9-6-5-7-10-16)14-18-11-8-12-19-17(2,3)4/h5-7,9-10,15,18H,8,11-14H2,1-4H3.
What are the key properties of 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine?
2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 56619995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).