1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine

C14H21NO2 — CID 43560128

IUPAC1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CC2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-10(15-2)12-6-7-13(14(8-12)16-3)17-9-11-4-5-11/h6-8,10-11,15H,4-5,9H2,1-3H3
InChIKeyYZYFLBACIGZBMD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds6

About 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine

1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine (PubChem CID 43560128) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
PubChem CID43560128
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCC2CC2)c(OC)c1
InChIInChI=1S/C14H21NO2/c1-10(15-2)12-6-7-13(14(8-12)16-3)17-9-11-4-5-11/h6-8,10-11,15H,4-5,9H2,1-3H3
InChIKeyYZYFLBACIGZBMD-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 134558220
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
N-cyclopropyl-2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279426
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine (CID 43560128) is 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine is CNC(C)c1ccc(OCC2CC2)c(OC)c1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine?
The InChIKey is YZYFLBACIGZBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(15-2)12-6-7-13(14(8-12)16-3)17-9-11-4-5-11/h6-8,10-11,15H,4-5,9H2,1-3H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine?
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 43560128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).