N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine

C14H21FN2O2 — CID 104792890

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
SMILESCOc1cccc(CN(C)CC2CNCCO2)c1F
InChIInChI=1S/C14H21FN2O2/c1-17(10-12-8-16-6-7-19-12)9-11-4-3-5-13(18-2)14(11)15/h3-5,12,16H,6-10H2,1-2H3
InChIKeyBWZNHDLBFJVQRZ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.25
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine

N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine (PubChem CID 104792890) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
PubChem CID104792890
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
SMILESCOc1cccc(CN(C)CC2CNCCO2)c1F
InChIInChI=1S/C14H21FN2O2/c1-17(10-12-8-16-6-7-19-12)9-11-4-3-5-13(18-2)14(11)15/h3-5,12,16H,6-10H2,1-2H3
InChIKeyBWZNHDLBFJVQRZ-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
CID 107119032
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636991
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
N-methyl-1-morpholin-2-yl-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115237692
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 82892741
N-[[4-(difluoromethyl)phenyl]methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 115524679
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
CID 78945054
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708046

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine (CID 104792890) is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine is COc1cccc(CN(C)CC2CNCCO2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
The InChIKey is BWZNHDLBFJVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-17(10-12-8-16-6-7-19-12)9-11-4-3-5-13(18-2)14(11)15/h3-5,12,16H,6-10H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 104792890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).