(1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine

C10H14N2O — CID 118056255

IUPAC(1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine
SMILESCN1COCc2cc(CN)ccc21
InChIInChI=1S/C10H14N2O/c1-12-7-13-6-9-4-8(5-11)2-3-10(9)12/h2-4H,5-7,11H2,1H3
InChIKeyDPJKRLXCDREJTG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.07
Rot. Bonds1

About (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine

(1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine (PubChem CID 118056255) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine
PubChem CID118056255
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine
SMILESCN1COCc2cc(CN)ccc21
InChIInChI=1S/C10H14N2O/c1-12-7-13-6-9-4-8(5-11)2-3-10(9)12/h2-4H,5-7,11H2,1H3
InChIKeyDPJKRLXCDREJTG-UHFFFAOYSA-N
XLogP1.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-2-benzofuran-5-ylmethanamine;hydrochloride
CID 47002851
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
CID 82503449
7-ethyl-5-methyl-4H-1,3,5-benzodioxazepine
CID 143588706
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 129139598
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
5-(aminomethyl)-1-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 115206450
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
6-(aminomethyl)-2-methyl-3H-isoindol-1-one
CID 83816625

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine?
The IUPAC name of (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine (CID 118056255) is (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine.
What is the SMILES notation for (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine?
The canonical SMILES for (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine is CN1COCc2cc(CN)ccc21.
What is the InChIKey of (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine?
The InChIKey is DPJKRLXCDREJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-7-13-6-9-4-8(5-11)2-3-10(9)12/h2-4H,5-7,11H2,1H3.
What are the key properties of (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine?
(1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine has a molecular weight of 178.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,4-dihydro-3,1-benzoxazin-6-yl)methanamine is sourced from PubChem (CID 118056255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).