N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine

C21H29N3O2 — CID 119113268

IUPACN-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
SMILESCN(CCOc1cccc(CNCc2ccncc2)c1)C1CCOCC1
InChIInChI=1S/C21H29N3O2/c1-24(20-7-12-25-13-8-20)11-14-26-21-4-2-3-19(15-21)17-23-16-18-5-9-22-10-6-18/h2-6,9-10,15,20,23H,7-8,11-14,16-17H2,1H3
InChIKeyMWXZXLOAXGEFQC-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.86
Rot. Bonds9

About N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine

N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine (PubChem CID 119113268) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
PubChem CID119113268
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
SMILESCN(CCOc1cccc(CNCc2ccncc2)c1)C1CCOCC1
InChIInChI=1S/C21H29N3O2/c1-24(20-7-12-25-13-8-20)11-14-26-21-4-2-3-19(15-21)17-23-16-18-5-9-22-10-6-18/h2-6,9-10,15,20,23H,7-8,11-14,16-17H2,1H3
InChIKeyMWXZXLOAXGEFQC-UHFFFAOYSA-N
XLogP2.86
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
CID 119875630
1-(cyclopropylmethyl)-2-methyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine
CID 111868180
2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
CID 119875609
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119875616
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982432
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006254
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111306885
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474015
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360008
1,2-dimethyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109382384

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine (CID 119113268) is N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine is CN(CCOc1cccc(CNCc2ccncc2)c1)C1CCOCC1.
What is the InChIKey of N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine?
The InChIKey is MWXZXLOAXGEFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-24(20-7-12-25-13-8-20)11-14-26-21-4-2-3-19(15-21)17-23-16-18-5-9-22-10-6-18/h2-6,9-10,15,20,23H,7-8,11-14,16-17H2,1H3.
What are the key properties of N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine?
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine has a molecular weight of 355.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine is sourced from PubChem (CID 119113268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).