1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine

C21H26N4 — CID 174270590

IUPAC1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
SMILESCCNCc1cccnc1.c1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C13H14N2.C8H12N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13;1-2-9-6-8-4-3-5-10-7-8/h1-8,10,15H,9,11H2;3-5,7,9H,2,6H2,1H3
InChIKeyIUVGYHWEHVMQMI-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.56
Rot. Bonds7

About 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine

1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 174270590) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
PubChem CID174270590
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
SMILESCCNCc1cccnc1.c1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C13H14N2.C8H12N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13;1-2-9-6-8-4-3-5-10-7-8/h1-8,10,15H,9,11H2;3-5,7,9H,2,6H2,1H3
InChIKeyIUVGYHWEHVMQMI-UHFFFAOYSA-N
XLogP3.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylethanamine;tris(yttrium)
CID 158198357
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
N-benzylethanamine;trimethylsilane
CID 173401135
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine (CID 174270590) is 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine is CCNCc1cccnc1.c1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is IUVGYHWEHVMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C8H12N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13;1-2-9-6-8-4-3-5-10-7-8/h1-8,10,15H,9,11H2;3-5,7,9H,2,6H2,1H3.
What are the key properties of 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine?
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 334.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 174270590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).