N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine

C13H16ClN3O — CID 103291840

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCOc1cccc(Cl)c1CNC(C)c1ccn[nH]1
InChIInChI=1S/C13H16ClN3O/c1-9(12-6-7-16-17-12)15-8-10-11(14)4-3-5-13(10)18-2/h3-7,9,15H,8H2,1-2H3,(H,16,17)
InChIKeyQYACLOYGNHNUNB-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.92
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine (PubChem CID 103291840) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
PubChem CID103291840
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine
SMILESCOc1cccc(Cl)c1CNC(C)c1ccn[nH]1
InChIInChI=1S/C13H16ClN3O/c1-9(12-6-7-16-17-12)15-8-10-11(14)4-3-5-13(10)18-2/h3-7,9,15H,8H2,1-2H3,(H,16,17)
InChIKeyQYACLOYGNHNUNB-UHFFFAOYSA-N
XLogP2.92
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167845992
4-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenol
CID 103292031
N-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827613
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 104815643
(1R)-1-(3-bromophenyl)-N-[(2-chloro-6-methoxyphenyl)methyl]ethanamine
CID 104816085
(3R)-3-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103854792
3-[(2-chloro-6-methoxyphenyl)methylamino]butanenitrile
CID 104586922
(2R)-2-[(2-chloro-6-methoxyphenyl)methylamino]butan-1-ol
CID 103924290
(1S)-N-benzyl-1-(1H-pyrazol-5-yl)ethanamine
CID 93389562
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 104815787
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methylheptan-2-amine
CID 104815707
2-[(2-chloro-6-methoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 113456327

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine (CID 103291840) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine is COc1cccc(Cl)c1CNC(C)c1ccn[nH]1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
The InChIKey is QYACLOYGNHNUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(12-6-7-16-17-12)15-8-10-11(14)4-3-5-13(10)18-2/h3-7,9,15H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine has a molecular weight of 265.74 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-pyrazol-5-yl)ethanamine is sourced from PubChem (CID 103291840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).