2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine

C17H29NO2 — CID 79627722

IUPAC2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
SMILESCCCOc1ccccc1OCC(C)(C)CNC(C)C
InChIInChI=1S/C17H29NO2/c1-6-11-19-15-9-7-8-10-16(15)20-13-17(4,5)12-18-14(2)3/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyWOXPDSQYNGYFLG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.88
Rot. Bonds9

About 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine

2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine (PubChem CID 79627722) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
PubChem CID79627722
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine
SMILESCCCOc1ccccc1OCC(C)(C)CNC(C)C
InChIInChI=1S/C17H29NO2/c1-6-11-19-15-9-7-8-10-16(15)20-13-17(4,5)12-18-14(2)3/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyWOXPDSQYNGYFLG-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
3-(4-chloronaphthalen-1-yl)oxy-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79621008
3-(2-methoxy-4-methylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626692
2,2-dimethyl-3-naphthalen-2-yloxy-N-propan-2-ylpropan-1-amine
CID 79626422
3-(4-ethylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626545
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
3-(4-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79626396
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
3-(3-tert-butylphenoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79628807
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
3-methyl-N-[2-(2-propoxyphenoxy)ethyl]butan-1-amine;hydrochloride
CID 117067339
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine (CID 79627722) is 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine is CCCOc1ccccc1OCC(C)(C)CNC(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine?
The InChIKey is WOXPDSQYNGYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-11-19-15-9-7-8-10-16(15)20-13-17(4,5)12-18-14(2)3/h7-10,14,18H,6,11-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine?
2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-3-(2-propoxyphenoxy)propan-1-amine is sourced from PubChem (CID 79627722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).