2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine

C17H23N3 — CID 105347050

IUPAC2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C17H23N3/c1-14(11-18)16-8-6-15(7-9-16)12-20(2)13-17-5-3-4-10-19-17/h3-10,14H,11-13,18H2,1-2H3
InChIKeyLCTGGDRNCPPBPN-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.78
Rot. Bonds6

About 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine

2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine (PubChem CID 105347050) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
PubChem CID105347050
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN(C)Cc2ccccn2)cc1
InChIInChI=1S/C17H23N3/c1-14(11-18)16-8-6-15(7-9-16)12-20(2)13-17-5-3-4-10-19-17/h3-10,14H,11-13,18H2,1-2H3
InChIKeyLCTGGDRNCPPBPN-UHFFFAOYSA-N
XLogP2.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
N-methyl-1-naphthalen-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 171327866
2-fluoro-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 55159076
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105347161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine (CID 105347050) is 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine is CC(CN)c1ccc(CN(C)Cc2ccccn2)cc1.
What is the InChIKey of 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine?
The InChIKey is LCTGGDRNCPPBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(11-18)16-8-6-15(7-9-16)12-20(2)13-17-5-3-4-10-19-17/h3-10,14H,11-13,18H2,1-2H3.
What are the key properties of 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine?
2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).