N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine

C16H27NO2 — CID 115621687

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-10-16(3,4)17-12-13-8-9-14(19-7-2)15(11-13)18-5/h8-9,11,17H,6-7,10,12H2,1-5H3
InChIKeyBBAPIOLNTCXSPU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.76
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine (PubChem CID 115621687) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
PubChem CID115621687
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine
SMILESCCCC(C)(C)NCc1ccc(OCC)c(OC)c1
InChIInChI=1S/C16H27NO2/c1-6-10-16(3,4)17-12-13-8-9-14(19-7-2)15(11-13)18-5/h8-9,11,17H,6-7,10,12H2,1-5H3
InChIKeyBBAPIOLNTCXSPU-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylpentan-2-amine
CID 115621623
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
2-[2-methoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 17211061
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 17210747
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
3-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134689

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine (CID 115621687) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine is CCCC(C)(C)NCc1ccc(OCC)c(OC)c1.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine?
The InChIKey is BBAPIOLNTCXSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-10-16(3,4)17-12-13-8-9-14(19-7-2)15(11-13)18-5/h8-9,11,17H,6-7,10,12H2,1-5H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpentan-2-amine is sourced from PubChem (CID 115621687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).