N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride

C14H18ClN3O — CID 17213643

IUPACN-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1cccc(Oc2ncccn2)c1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-11(2)17-10-12-5-3-6-13(9-12)18-14-15-7-4-8-16-14;/h3-9,11,17H,10H2,1-2H3;1H
InChIKeyMPUFTVMDLSAEJZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.19
Rot. Bonds5

About N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride

N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride (PubChem CID 17213643) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
PubChem CID17213643
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCC(C)NCc1cccc(Oc2ncccn2)c1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-11(2)17-10-12-5-3-6-13(9-12)18-14-15-7-4-8-16-14;/h3-9,11,17H,10H2,1-2H3;1H
InChIKeyMPUFTVMDLSAEJZ-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N-methyl-1-[3-(4-propan-2-yloxypyrimidin-2-yl)oxyphenyl]methanamine
CID 106486516
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride (CID 17213643) is N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride is CC(C)NCc1cccc(Oc2ncccn2)c1.Cl.
What is the InChIKey of N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride?
The InChIKey is MPUFTVMDLSAEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-11(2)17-10-12-5-3-6-13(9-12)18-14-15-7-4-8-16-14;/h3-9,11,17H,10H2,1-2H3;1H.
What are the key properties of N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride?
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 17213643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).