1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine

C16H27NO2 — CID 103036253

IUPAC1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCCC(C)(C)OC)c1
InChIInChI=1S/C16H27NO2/c1-5-14(17)11-13-7-6-8-15(12-13)19-10-9-16(2,3)18-4/h6-8,12,14H,5,9-11,17H2,1-4H3
InChIKeySBIXBZRLYWBGHT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds8

About 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine

1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine (PubChem CID 103036253) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
PubChem CID103036253
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCCC(C)(C)OC)c1
InChIInChI=1S/C16H27NO2/c1-5-14(17)11-13-7-6-8-15(12-13)19-10-9-16(2,3)18-4/h6-8,12,14H,5,9-11,17H2,1-4H3
InChIKeySBIXBZRLYWBGHT-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
methyl 3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoate
CID 79620949
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170
3-[3-(2-aminobutyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79621115
1-(3-hept-6-enoxyphenyl)butan-2-amine
CID 107009907
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
methyl 2-[3-(2-aminobutyl)phenoxy]acetate
CID 54929271

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine (CID 103036253) is 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OCCC(C)(C)OC)c1.
What is the InChIKey of 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
The InChIKey is SBIXBZRLYWBGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(17)11-13-7-6-8-15(12-13)19-10-9-16(2,3)18-4/h6-8,12,14H,5,9-11,17H2,1-4H3.
What are the key properties of 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine?
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine is sourced from PubChem (CID 103036253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).