N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine

C16H27NO2 — CID 43472032

IUPACN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cccc(CNC(C)C)c1OCCC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)9-10-19-16-14(11-17-13(3)4)7-6-8-15(16)18-5/h6-8,12-13,17H,9-11H2,1-5H3
InChIKeyNERHZWYTULJUOB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.62
Rot. Bonds8

About N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine

N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine (PubChem CID 43472032) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
PubChem CID43472032
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cccc(CNC(C)C)c1OCCC(C)C
InChIInChI=1S/C16H27NO2/c1-12(2)9-10-19-16-14(11-17-13(3)4)7-6-8-15(16)18-5/h6-8,12-13,17H,9-11H2,1-5H3
InChIKeyNERHZWYTULJUOB-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848699
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807461
N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 60915922
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine (CID 43472032) is N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine is COc1cccc(CNC(C)C)c1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
The InChIKey is NERHZWYTULJUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)9-10-19-16-14(11-17-13(3)4)7-6-8-15(16)18-5/h6-8,12-13,17H,9-11H2,1-5H3.
What are the key properties of N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine?
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43472032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).