2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine

C20H20N2O — CID 82025229

IUPAC2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCC1CN(Cc2cccc3ccccc23)c2cc(N)ccc2O1
InChIInChI=1S/C20H20N2O/c1-14-12-22(19-11-17(21)9-10-20(19)23-14)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14H,12-13,21H2,1H3
InChIKeyIGZHSLRSAMYKIQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.21
Rot. Bonds2

About 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine

2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine (PubChem CID 82025229) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine
PubChem CID82025229
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCC1CN(Cc2cccc3ccccc23)c2cc(N)ccc2O1
InChIInChI=1S/C20H20N2O/c1-14-12-22(19-11-17(21)9-10-20(19)23-14)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14H,12-13,21H2,1H3
InChIKeyIGZHSLRSAMYKIQ-UHFFFAOYSA-N
XLogP4.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025211
5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120903458
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
4-[(4-chlorophenyl)methyl]-2-ethyl-2,3-dihydro-1,4-benzoxazin-6-amine
CID 82025212
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 82025146
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
3-fluoro-4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769057
(3S,4S)-4-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 128982987
3-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]benzoic acid
CID 82025085
4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine
CID 82025300
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetonitrile
CID 82142924
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine?
The IUPAC name of 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine (CID 82025229) is 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine.
What is the SMILES notation for 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine?
The canonical SMILES for 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine is CC1CN(Cc2cccc3ccccc23)c2cc(N)ccc2O1.
What is the InChIKey of 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine?
The InChIKey is IGZHSLRSAMYKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-12-22(19-11-17(21)9-10-20(19)23-14)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14H,12-13,21H2,1H3.
What are the key properties of 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine?
2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine has a molecular weight of 304.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-amine is sourced from PubChem (CID 82025229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).