N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

C16H18ClN3O — CID 83187804

IUPACN-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(OCc2cccc(Cl)c2)ncc1CNC1CC1
InChIInChI=1S/C16H18ClN3O/c1-11-13(8-18-15-5-6-15)9-19-16(20-11)21-10-12-3-2-4-14(17)7-12/h2-4,7,9,15,18H,5-6,8,10H2,1H3
InChIKeyQHVXWXXBFQNDTA-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.27
Rot. Bonds6

About N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 83187804) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID83187804
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1nc(OCc2cccc(Cl)c2)ncc1CNC1CC1
InChIInChI=1S/C16H18ClN3O/c1-11-13(8-18-15-5-6-15)9-19-16(20-11)21-10-12-3-2-4-14(17)7-12/h2-4,7,9,15,18H,5-6,8,10H2,1H3
InChIKeyQHVXWXXBFQNDTA-UHFFFAOYSA-N
XLogP3.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-bromo-4-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187779
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]cyclopropanamine
CID 65125309
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[2-(4-chloro-3-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83186830
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[2-(4-bromo-3-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187374
N-[[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83188048
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine (CID 83187804) is N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is Cc1nc(OCc2cccc(Cl)c2)ncc1CNC1CC1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is QHVXWXXBFQNDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-13(8-18-15-5-6-15)9-19-16(20-11)21-10-12-3-2-4-14(17)7-12/h2-4,7,9,15,18H,5-6,8,10H2,1H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 303.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methoxy]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83187804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).