1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine

C18H28N2O3 — CID 119124637

IUPAC1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCC2CN(C3CC3)CCO2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-3-22-17-7-4-14(10-18(17)21-2)11-19-12-16-13-20(8-9-23-16)15-5-6-15/h4,7,10,15-16,19H,3,5-6,8-9,11-13H2,1-2H3
InChIKeyUAGFZFXMWTZGDU-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.05
Rot. Bonds8

About 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine

1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine (PubChem CID 119124637) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
PubChem CID119124637
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCC2CN(C3CC3)CCO2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-3-22-17-7-4-14(10-18(17)21-2)11-19-12-16-13-20(8-9-23-16)15-5-6-15/h4,7,10,15-16,19H,3,5-6,8-9,11-13H2,1-2H3
InChIKeyUAGFZFXMWTZGDU-UHFFFAOYSA-N
XLogP2.05
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
CID 119124665
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
CID 124545838
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 124690614
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxy-2-propoxyphenyl)methyl]methanamine
CID 119124588
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
CID 119124635
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126987
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine (CID 119124637) is 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine is CCOc1ccc(CNCC2CN(C3CC3)CCO2)cc1OC.
What is the InChIKey of 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
The InChIKey is UAGFZFXMWTZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-22-17-7-4-14(10-18(17)21-2)11-19-12-16-13-20(8-9-23-16)15-5-6-15/h4,7,10,15-16,19H,3,5-6,8-9,11-13H2,1-2H3.
What are the key properties of 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine?
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine has a molecular weight of 320.43 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 119124637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).