N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine

C17H23N3O — CID 84746205

IUPACN-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cc(CN(C)C)ccc1CNCc1cccnc1
InChIInChI=1S/C17H23N3O/c1-20(2)13-14-6-7-16(17(9-14)21-3)12-19-11-15-5-4-8-18-10-15/h4-10,19H,11-13H2,1-3H3
InChIKeyCBMNAOSXRMRAKA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.44
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine

N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 84746205) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID84746205
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
SMILESCOc1cc(CN(C)C)ccc1CNCc1cccnc1
InChIInChI=1S/C17H23N3O/c1-20(2)13-14-6-7-16(17(9-14)21-3)12-19-11-15-5-4-8-18-10-15/h4-10,19H,11-13H2,1-3H3
InChIKeyCBMNAOSXRMRAKA-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
1-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 1075948
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54855342
N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746117
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 17289276
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997353
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine (CID 84746205) is N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine is COc1cc(CN(C)C)ccc1CNCc1cccnc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is CBMNAOSXRMRAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(2)13-14-6-7-16(17(9-14)21-3)12-19-11-15-5-4-8-18-10-15/h4-10,19H,11-13H2,1-3H3.
What are the key properties of N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine?
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 84746205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).