N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine

C16H21N3O — CID 62698763

IUPACN-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCc2ncccn2)cc1
InChIInChI=1S/C16H21N3O/c1-3-9-17-13(2)14-5-7-15(8-6-14)20-12-16-18-10-4-11-19-16/h4-8,10-11,13,17H,3,9,12H2,1-2H3
InChIKeyMHKFDOZPMCJTSY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds7

About N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine

N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 62698763) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID62698763
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCc2ncccn2)cc1
InChIInChI=1S/C16H21N3O/c1-3-9-17-13(2)14-5-7-15(8-6-14)20-12-16-18-10-4-11-19-16/h4-8,10-11,13,17H,3,9,12H2,1-2H3
InChIKeyMHKFDOZPMCJTSY-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[1-[4-(2-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43479752
N-[1-[4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285398
N-[1-[4-(4-ethylphenoxy)phenyl]ethyl]propan-1-amine
CID 43285379
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 62795433
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-[4-[1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide
CID 43507728
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine (CID 62698763) is N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCc2ncccn2)cc1.
What is the InChIKey of N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is MHKFDOZPMCJTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-17-13(2)14-5-7-15(8-6-14)20-12-16-18-10-4-11-19-16/h4-8,10-11,13,17H,3,9,12H2,1-2H3.
What are the key properties of N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62698763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).