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

C16H27NO2 — CID 61463346

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
SMILESCCOc1ccc(CNC(C)C(C)CC)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-12(3)13(4)17-11-14-8-9-15(19-7-2)16(10-14)18-5/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeySPPJYPOEHIDUCA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.62
Rot. Bonds8

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

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine (PubChem CID 61463346) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
PubChem CID61463346
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
SMILESCCOc1ccc(CNC(C)C(C)CC)cc1OC
InChIInChI=1S/C16H27NO2/c1-6-12(3)13(4)17-11-14-8-9-15(19-7-2)16(10-14)18-5/h8-10,12-13,17H,6-7,11H2,1-5H3
InChIKeySPPJYPOEHIDUCA-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

2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
1-(1-adamantyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 4717148
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680224
1-(4-ethoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664197
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
2-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoic acid
CID 82364722

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine (CID 61463346) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine is CCOc1ccc(CNC(C)C(C)CC)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine?
The InChIKey is SPPJYPOEHIDUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-12(3)13(4)17-11-14-8-9-15(19-7-2)16(10-14)18-5/h8-10,12-13,17H,6-7,11H2,1-5H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-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-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine is sourced from PubChem (CID 61463346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).