(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine

C13H14N2O — CID 115420975

IUPAC(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine
SMILESCC1Cc2c(CN)noc2-c2ccccc21
InChIInChI=1S/C13H14N2O/c1-8-6-11-12(7-14)15-16-13(11)10-5-3-2-4-9(8)10/h2-5,8H,6-7,14H2,1H3
InChIKeyTYPAPMBKMRLDDX-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.46
Rot. Bonds1

About (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine

(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine (PubChem CID 115420975) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine
PubChem CID115420975
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine
SMILESCC1Cc2c(CN)noc2-c2ccccc21
InChIInChI=1S/C13H14N2O/c1-8-6-11-12(7-14)15-16-13(11)10-5-3-2-4-9(8)10/h2-5,8H,6-7,14H2,1H3
InChIKeyTYPAPMBKMRLDDX-UHFFFAOYSA-N
XLogP2.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 115420984
N-[(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methyl]propan-1-amine
CID 115420977
3-(chloromethyl)-4-methyl-4H-indeno[2,1-d][1,2]oxazole
CID 130570397
1-methyl-3-methylidene-1,2-dihydroindene
CID 59797400
2,4-dichloro-6-methyl-5,6-dihydrobenzo[h]quinazoline
CID 115420771
6-methyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinazoline
CID 102255496
2-[4-(aminomethyl)-3-methyl-1,2-oxazol-5-yl]phenol
CID 136765417
4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylmethanol
CID 16641470
2-[[(3S)-3-methyl-2,3-dihydroinden-1-ylidene]amino]guanidine;hydrochloride
CID 70619369
4-methyl-12-oxa-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),5,7,9,13,15(23),16,18,20-decaene
CID 163455601
1-methyl-3,4-diphenoxy-1,2-dihydronaphthalene
CID 159998004
(7R)-7-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-amine
CID 125469550

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine?
The IUPAC name of (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine (CID 115420975) is (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine.
What is the SMILES notation for (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine?
The canonical SMILES for (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine is CC1Cc2c(CN)noc2-c2ccccc21.
What is the InChIKey of (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine?
The InChIKey is TYPAPMBKMRLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-6-11-12(7-14)15-16-13(11)10-5-3-2-4-9(8)10/h2-5,8H,6-7,14H2,1H3.
What are the key properties of (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine?
(5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine has a molecular weight of 214.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)methanamine is sourced from PubChem (CID 115420975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).