N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine

C16H27N3O — CID 79165317

IUPACN-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
SMILESCCN1CCOC(CN(C)Cc2cccc(CN)c2)C1
InChIInChI=1S/C16H27N3O/c1-3-19-7-8-20-16(13-19)12-18(2)11-15-6-4-5-14(9-15)10-17/h4-6,9,16H,3,7-8,10-13,17H2,1-2H3
InChIKeyKFWANVNNRXZYDB-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.30
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine

N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine (PubChem CID 79165317) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
PubChem CID79165317
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
SMILESCCN1CCOC(CN(C)Cc2cccc(CN)c2)C1
InChIInChI=1S/C16H27N3O/c1-3-19-7-8-20-16(13-19)12-18(2)11-15-6-4-5-14(9-15)10-17/h4-6,9,16H,3,7-8,10-13,17H2,1-2H3
InChIKeyKFWANVNNRXZYDB-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
4-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-N-propylaniline
CID 79166888
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
1-[3-(aminomethyl)phenyl]-3-[(4-ethylmorpholin-2-yl)methyl]urea
CID 114400875
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
4-[[cyclopropyl-[(4-ethylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 79175232
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylazetidin-3-amine
CID 79182019
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885
[3-[(4-ethylmorpholin-2-yl)methoxy]-4-nitrophenyl]methanamine
CID 79163964

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine (CID 79165317) is N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine is CCN1CCOC(CN(C)Cc2cccc(CN)c2)C1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
The InChIKey is KFWANVNNRXZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-19-7-8-20-16(13-19)12-18(2)11-15-6-4-5-14(9-15)10-17/h4-6,9,16H,3,7-8,10-13,17H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine?
N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79165317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).