[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone

C14H20N2O2 — CID 43611605

IUPAC[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O2/c1-2-13-10-18-8-7-16(13)14(17)12-5-3-11(9-15)4-6-12/h3-6,13H,2,7-10,15H2,1H3
InChIKeyRNRBTJUWPTUNSF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone

[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone (PubChem CID 43611605) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
PubChem CID43611605
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O2/c1-2-13-10-18-8-7-16(13)14(17)12-5-3-11(9-15)4-6-12/h3-6,13H,2,7-10,15H2,1H3
InChIKeyRNRBTJUWPTUNSF-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
4-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63591050
1-[1-[4-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 70784436
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
CID 96536811
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328231

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone (CID 43611605) is [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is RNRBTJUWPTUNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13-10-18-8-7-16(13)14(17)12-5-3-11(9-15)4-6-12/h3-6,13H,2,7-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone?
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43611605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).