N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide

C14H21N3O2 — CID 61342049

IUPACN-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
SMILESCC(N)c1cccc(NC(=O)N2CCOCC2C)c1
InChIInChI=1S/C14H21N3O2/c1-10-9-19-7-6-17(10)14(18)16-13-5-3-4-12(8-13)11(2)15/h3-5,8,10-11H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyTZQMVBAGYUHIIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds2

About N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide

N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide (PubChem CID 61342049) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
PubChem CID61342049
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide
SMILESCC(N)c1cccc(NC(=O)N2CCOCC2C)c1
InChIInChI=1S/C14H21N3O2/c1-10-9-19-7-6-17(10)14(18)16-13-5-3-4-12(8-13)11(2)15/h3-5,8,10-11H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyTZQMVBAGYUHIIC-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 102885946
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
(3S)-N-(4-bromo-2,6-difluorophenyl)-3-methylmorpholine-4-carboxamide
CID 99812243
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
CID 110190200
(3R)-3-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 99714139
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide (CID 61342049) is N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide is CC(N)c1cccc(NC(=O)N2CCOCC2C)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide?
The InChIKey is TZQMVBAGYUHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-19-7-6-17(10)14(18)16-13-5-3-4-12(8-13)11(2)15/h3-5,8,10-11H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide?
N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-3-methylmorpholine-4-carboxamide is sourced from PubChem (CID 61342049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).