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

C13H15N3 — CID 60918879

IUPACN-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
SMILESNCc1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C13H15N3/c14-9-11-1-3-12(4-2-11)10-16-13-5-7-15-8-6-13/h1-8H,9-10,14H2,(H,15,16)
InChIKeyTZWUOOBXIHQZPO-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.15
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine (PubChem CID 60918879) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
PubChem CID60918879
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
SMILESNCc1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C13H15N3/c14-9-11-1-3-12(4-2-11)10-16-13-5-7-15-8-6-13/h1-8H,9-10,14H2,(H,15,16)
InChIKeyTZWUOOBXIHQZPO-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-[[3-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 43589478
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
CID 157155590
N-[[5-(aminomethyl)-3-pyridinyl]methyl]aniline
CID 105466966
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine (CID 60918879) is N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine is NCc1ccc(CNc2ccncc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine?
The InChIKey is TZWUOOBXIHQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-11-1-3-12(4-2-11)10-16-13-5-7-15-8-6-13/h1-8H,9-10,14H2,(H,15,16).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine?
N-[[4-(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-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 60918879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).