1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine

C16H27NO2 — CID 106665055

IUPAC1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCOC(C)(C)CCOC(c1ccc(C)cc1)C(C)N
InChIInChI=1S/C16H27NO2/c1-12-6-8-14(9-7-12)15(13(2)17)19-11-10-16(3,4)18-5/h6-9,13,15H,10-11,17H2,1-5H3
InChIKeyCWHDNBNXJWRCMY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds7

About 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine

1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine (PubChem CID 106665055) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
PubChem CID106665055
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine
SMILESCOC(C)(C)CCOC(c1ccc(C)cc1)C(C)N
InChIInChI=1S/C16H27NO2/c1-12-6-8-14(9-7-12)15(13(2)17)19-11-10-16(3,4)18-5/h6-9,13,15H,10-11,17H2,1-5H3
InChIKeyCWHDNBNXJWRCMY-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopropylethoxy)-1-(4-methylphenyl)propan-2-amine
CID 106199991
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
CID 106665422
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
3-[1-(3-methoxy-3-methylbutoxy)ethyl]aniline
CID 106665054
1-[4-(2-methoxy-2-methylpropyl)phenyl]ethanamine
CID 117110911
1-(4-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55015962
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
1-(3-bromophenyl)-1-(3,3,3-trifluoropropoxy)propan-2-amine
CID 82954803
1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
CID 55016012

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine (CID 106665055) is 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine is COC(C)(C)CCOC(c1ccc(C)cc1)C(C)N.
What is the InChIKey of 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine?
The InChIKey is CWHDNBNXJWRCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-6-8-14(9-7-12)15(13(2)17)19-11-10-16(3,4)18-5/h6-9,13,15H,10-11,17H2,1-5H3.
What are the key properties of 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine?
1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutoxy)-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 106665055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).