1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine

C16H27NO2 — CID 65047513

IUPAC1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
SMILESCOCC(NC(C)Cc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)16(11-18-4)17-13(3)10-14-6-8-15(19-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyZLURLCNLQHTBLL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds8

About 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine

1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine (PubChem CID 65047513) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
PubChem CID65047513
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine
SMILESCOCC(NC(C)Cc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)16(11-18-4)17-13(3)10-14-6-8-15(19-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyZLURLCNLQHTBLL-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methoxy-3-methylbutan-2-amine
CID 65047306
methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
(2S)-1-methoxy-N-[(1R)-1-(4-methoxyphenyl)but-3-enyl]-3-methylbutan-2-amine
CID 101042667
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine?
The IUPAC name of 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine (CID 65047513) is 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine?
The canonical SMILES for 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine is COCC(NC(C)Cc1ccc(OC)cc1)C(C)C.
What is the InChIKey of 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine?
The InChIKey is ZLURLCNLQHTBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)16(11-18-4)17-13(3)10-14-6-8-15(19-5)9-7-14/h6-9,12-13,16-17H,10-11H2,1-5H3.
What are the key properties of 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine?
1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 65047513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).