N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine

C14H17N3 — CID 54936126

IUPACN-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NCc2ccc(CN)cc2)nc1
InChIInChI=1S/C14H17N3/c1-11-2-7-14(16-9-11)17-10-13-5-3-12(8-15)4-6-13/h2-7,9H,8,10,15H2,1H3,(H,16,17)
InChIKeyCSRHDXKMRIESDY-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.46
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine

N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine (PubChem CID 54936126) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
PubChem CID54936126
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NCc2ccc(CN)cc2)nc1
InChIInChI=1S/C14H17N3/c1-11-2-7-14(16-9-11)17-10-13-5-3-12(8-15)4-6-13/h2-7,9H,8,10,15H2,1H3,(H,16,17)
InChIKeyCSRHDXKMRIESDY-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
5-hydrazinyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 82055033
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
CID 10334318
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656
2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384
N-[(2-ethylphenyl)methyl]-5-methylpyridin-2-amine
CID 64695713
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine (CID 54936126) is N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine is Cc1ccc(NCc2ccc(CN)cc2)nc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine?
The InChIKey is CSRHDXKMRIESDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-2-7-14(16-9-11)17-10-13-5-3-12(8-15)4-6-13/h2-7,9H,8,10,15H2,1H3,(H,16,17).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.46, 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]-5-methylpyridin-2-amine is sourced from PubChem (CID 54936126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).