N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine

C17H29NO2 — CID 62484954

IUPACN-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
SMILESCCCOc1ccc(OCC(C)CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-11-19-15-7-9-16(10-8-15)20-13-14(2)12-18-17(3,4)5/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyAWMGJZBVZQSCCO-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.88
Rot. Bonds8

About N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine

N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine (PubChem CID 62484954) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
PubChem CID62484954
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
SMILESCCCOc1ccc(OCC(C)CNC(C)(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-6-11-19-15-7-9-16(10-8-15)20-13-14(2)12-18-17(3,4)5/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyAWMGJZBVZQSCCO-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-fluorophenoxy)-N-tert-butyl-2-methylpropan-1-amine
CID 65201280
N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine
CID 103074770
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
CID 82710446
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
1-(tert-butylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 12005829
N-tert-butyl-3-(2,6-dimethoxyphenoxy)-2-methylpropan-1-amine
CID 62451084
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
2-(tert-butylamino)-1-(4-propoxyphenyl)ethanone
CID 82101917
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine (CID 62484954) is N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine is CCCOc1ccc(OCC(C)CNC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine?
The InChIKey is AWMGJZBVZQSCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-11-19-15-7-9-16(10-8-15)20-13-14(2)12-18-17(3,4)5/h7-10,14,18H,6,11-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine?
N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine is sourced from PubChem (CID 62484954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).