N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

C16H20ClN3O — CID 63056881

IUPACN-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1ncccn1
InChIInChI=1S/C16H20ClN3O/c1-16(2,3)20-10-12-9-13(17)5-6-14(12)21-11-15-18-7-4-8-19-15/h4-9,20H,10-11H2,1-3H3
InChIKeyGXYGBLBKPKSMCR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.60
Rot. Bonds5

About N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056881) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056881
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1ncccn1
InChIInChI=1S/C16H20ClN3O/c1-16(2,3)20-10-12-9-13(17)5-6-14(12)21-11-15-18-7-4-8-19-15/h4-9,20H,10-11H2,1-3H3
InChIKeyGXYGBLBKPKSMCR-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 62699888
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 2941503
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 63056712
N-[[2-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323935
tert-butyl 4-[[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methylamino]methyl]piperidine-1-carboxylate
CID 171620456
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
CID 17210867
N-[[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323963
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63056881) is N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(Cl)ccc1OCc1ncccn1.
What is the InChIKey of N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GXYGBLBKPKSMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-16(2,3)20-10-12-9-13(17)5-6-14(12)21-11-15-18-7-4-8-19-15/h4-9,20H,10-11H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).