N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine

C13H20N2O3 — CID 83011668

IUPACN-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
SMILESCOc1cc(CNN2CCOCC2)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-16-12-7-11(8-13(9-12)17-2)10-14-15-3-5-18-6-4-15/h7-9,14H,3-6,10H2,1-2H3
InChIKeyRSVFLWHSFCCGBK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.04
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine

N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine (PubChem CID 83011668) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
PubChem CID83011668
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
SMILESCOc1cc(CNN2CCOCC2)cc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-16-12-7-11(8-13(9-12)17-2)10-14-15-3-5-18-6-4-15/h7-9,14H,3-6,10H2,1-2H3
InChIKeyRSVFLWHSFCCGBK-UHFFFAOYSA-N
XLogP1.04
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine
CID 83010027
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930
2-methoxy-4-[(morpholin-4-ylamino)methyl]phenol
CID 83010018
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
N-[(3,5-dimethoxyphenyl)methyl]pyrrol-1-amine
CID 79090512
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977
N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine
CID 83009516
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600
N-[[4-(3-methylbutoxy)phenyl]methyl]morpholin-4-amine
CID 83009256

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine (CID 83011668) is N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine is COc1cc(CNN2CCOCC2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine?
The InChIKey is RSVFLWHSFCCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-12-7-11(8-13(9-12)17-2)10-14-15-3-5-18-6-4-15/h7-9,14H,3-6,10H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine?
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine has a molecular weight of 252.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine is sourced from PubChem (CID 83011668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).