N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine

C16H27NO2 — CID 29227521

IUPACN-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCOc1ccc(CNCC(C)C)cc1OCC
InChIInChI=1S/C16H27NO2/c1-5-9-19-15-8-7-14(10-16(15)18-6-2)12-17-11-13(3)4/h7-8,10,13,17H,5-6,9,11-12H2,1-4H3
InChIKeyNZVZGBACUZWPQK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.62
Rot. Bonds9

About N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 29227521) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID29227521
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCOc1ccc(CNCC(C)C)cc1OCC
InChIInChI=1S/C16H27NO2/c1-5-9-19-15-8-7-14(10-16(15)18-6-2)12-17-11-13(3)4/h7-8,10,13,17H,5-6,9,11-12H2,1-4H3
InChIKeyNZVZGBACUZWPQK-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
N-[(3-ethoxy-4-pent-3-ynoxyphenyl)methyl]-2-methylpropan-1-amine
CID 104804987
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[3-ethoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056898
N-[[4-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057064
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65176463
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436947
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine (CID 29227521) is N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine is CCCOc1ccc(CNCC(C)C)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is NZVZGBACUZWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-9-19-15-8-7-14(10-16(15)18-6-2)12-17-11-13(3)4/h7-8,10,13,17H,5-6,9,11-12H2,1-4H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 29227521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).