(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine

C19H24N2O — CID 82339198

IUPAC(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
SMILESCC(C)C1CN(Cc2ccccc2)c2ccc(CN)cc2O1
InChIInChI=1S/C19H24N2O/c1-14(2)19-13-21(12-15-6-4-3-5-7-15)17-9-8-16(11-20)10-18(17)22-19/h3-10,14,19H,11-13,20H2,1-2H3
InChIKeyZAAQRJQAZGGCDQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.57
Rot. Bonds4

About (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine

(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine (PubChem CID 82339198) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine.

Molecular Properties

Compound Name(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
PubChem CID82339198
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
SMILESCC(C)C1CN(Cc2ccccc2)c2ccc(CN)cc2O1
InChIInChI=1S/C19H24N2O/c1-14(2)19-13-21(12-15-6-4-3-5-7-15)17-9-8-16(11-20)10-18(17)22-19/h3-10,14,19H,11-13,20H2,1-2H3
InChIKeyZAAQRJQAZGGCDQ-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339059
1-[7-(aminomethyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl]-3-methylbutan-1-one
CID 82339390
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
2-[2-(7-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]ethanamine
CID 82143110
2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82142565
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065
[2-ethyl-4-(2-methylprop-2-enyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339178
1-benzyl-5-chloro-2,3-dihydroindol-3-amine
CID 45043255
4-[7-(aminomethyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
CID 82339186
7-(aminomethyl)-2-methyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 82339339
(2-propan-2-yl-1,3-benzodioxol-5-yl)methanamine
CID 70551019

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The IUPAC name of (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine (CID 82339198) is (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine.
What is the SMILES notation for (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The canonical SMILES for (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine is CC(C)C1CN(Cc2ccccc2)c2ccc(CN)cc2O1.
What is the InChIKey of (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The InChIKey is ZAAQRJQAZGGCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(2)19-13-21(12-15-6-4-3-5-7-15)17-9-8-16(11-20)10-18(17)22-19/h3-10,14,19H,11-13,20H2,1-2H3.
What are the key properties of (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine has a molecular weight of 296.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine is sourced from PubChem (CID 82339198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).