1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C19H20ClN3O — CID 38057973

IUPAC1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O/c1-23-17(9-10-22-23)13-21-12-15-5-4-7-18(11-15)24-14-16-6-2-3-8-19(16)20/h2-11,21H,12-14H2,1H3
InChIKeyGMQBBSKVOGPPIS-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.94
Rot. Bonds7

About 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 38057973) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID38057973
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O/c1-23-17(9-10-22-23)13-21-12-15-5-4-7-18(11-15)24-14-16-6-2-3-8-19(16)20/h2-11,21H,12-14H2,1H3
InChIKeyGMQBBSKVOGPPIS-UHFFFAOYSA-N
XLogP3.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
1-[3-(3-methoxypropoxy)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86867695
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291308
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66527638
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 38057973) is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cn1nccc1CNCc1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is GMQBBSKVOGPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-23-17(9-10-22-23)13-21-12-15-5-4-7-18(11-15)24-14-16-6-2-3-8-19(16)20/h2-11,21H,12-14H2,1H3.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 341.84 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 38057973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).