N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine

C13H15N3 — CID 43589478

IUPACN-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
SMILESNCc1cccc(CNc2ccncc2)c1
InChIInChI=1S/C13H15N3/c14-9-11-2-1-3-12(8-11)10-16-13-4-6-15-7-5-13/h1-8H,9-10,14H2,(H,15,16)
InChIKeyVHYUNJDJYCMTSY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.15
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine

N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine (PubChem CID 43589478) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
PubChem CID43589478
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
SMILESNCc1cccc(CNc2ccncc2)c1
InChIInChI=1S/C13H15N3/c14-9-11-2-1-3-12(8-11)10-16-13-4-6-15-7-5-13/h1-8H,9-10,14H2,(H,15,16)
InChIKeyVHYUNJDJYCMTSY-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoroaniline
CID 105488137
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline
CID 105466966
N-[[3-(aminomethyl)phenyl]methyl]-4-ethylsulfonylaniline
CID 60871436
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
N-[[3-(aminomethyl)phenyl]methyl]-5-iodopyrimidin-2-amine
CID 116648248
N-[[3-(aminomethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 60870847
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine (CID 43589478) is N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine is NCc1cccc(CNc2ccncc2)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine?
The InChIKey is VHYUNJDJYCMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-11-2-1-3-12(8-11)10-16-13-4-6-15-7-5-13/h1-8H,9-10,14H2,(H,15,16).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine?
N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 43589478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).