N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine

C15H15N3O — CID 117041534

IUPACN-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine
SMILESCN(c1cccc(CN)c1)c1ccc2ncoc2c1
InChIInChI=1S/C15H15N3O/c1-18(12-4-2-3-11(7-12)9-16)13-5-6-14-15(8-13)19-10-17-14/h2-8,10H,9,16H2,1H3
InChIKeyRZUXOMIJRJUDJO-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.05
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine

N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine (PubChem CID 117041534) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine
PubChem CID117041534
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine
SMILESCN(c1cccc(CN)c1)c1ccc2ncoc2c1
InChIInChI=1S/C15H15N3O/c1-18(12-4-2-3-11(7-12)9-16)13-5-6-14-15(8-13)19-10-17-14/h2-8,10H,9,16H2,1H3
InChIKeyRZUXOMIJRJUDJO-UHFFFAOYSA-N
XLogP3.05
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(1,3-benzoxazol-6-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041076
1,3-benzoxazol-6-ylmethanamine
CID 55219292
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
2-N-(1,3-benzoxazol-6-yl)-2-N-methylpropane-1,2-diamine
CID 117039932
1-[3-(aminomethyl)phenyl]-1-(1,3-benzoxazol-6-yl)-N-methylmethanamine
CID 116952176
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
N'-(1,3-benzoxazol-6-yl)-N'-methylbutane-1,4-diamine
CID 115201146
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
ethyl 2-[1,3-benzoxazol-6-yl(methyl)amino]-2-methylpropanoate
CID 115128756
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115182634
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine (CID 117041534) is N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine is CN(c1cccc(CN)c1)c1ccc2ncoc2c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine?
The InChIKey is RZUXOMIJRJUDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(12-4-2-3-11(7-12)9-16)13-5-6-14-15(8-13)19-10-17-14/h2-8,10H,9,16H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine?
N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine has a molecular weight of 253.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 117041534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).