1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine

C16H26N2O — CID 82340334

IUPAC1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
SMILESCCCN1CC(C)(C)Oc2ccc(CC(C)N)cc21
InChIInChI=1S/C16H26N2O/c1-5-8-18-11-16(3,4)19-15-7-6-13(9-12(2)17)10-14(15)18/h6-7,10,12H,5,8-9,11,17H2,1-4H3
InChIKeyYPAZZUIKIKCFCC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine

1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine (PubChem CID 82340334) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
PubChem CID82340334
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
SMILESCCCN1CC(C)(C)Oc2ccc(CC(C)N)cc21
InChIInChI=1S/C16H26N2O/c1-5-8-18-11-16(3,4)19-15-7-6-13(9-12(2)17)10-14(15)18/h6-7,10,12H,5,8-9,11,17H2,1-4H3
InChIKeyYPAZZUIKIKCFCC-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
2-(6-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82142563
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340016
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
3-[(6-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methyl]benzoic acid
CID 82142472
3-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)propanenitrile
CID 82142841
(2R)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)propan-2-amine
CID 133082521
[2,2-dimethyl-4-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzoxazin-7-yl]methanamine
CID 82339135
1-[4-(2,2-dimethylmorpholin-4-yl)-3-methylphenyl]propan-2-amine
CID 55236412
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 81165760
1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine
CID 82143186
5-(2-aminopropyl)-3H-1-benzofuran-2,2-dicarboxylic acid
CID 22106719

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine?
The IUPAC name of 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine (CID 82340334) is 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine.
What is the SMILES notation for 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine?
The canonical SMILES for 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine is CCCN1CC(C)(C)Oc2ccc(CC(C)N)cc21.
What is the InChIKey of 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine?
The InChIKey is YPAZZUIKIKCFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-8-18-11-16(3,4)19-15-7-6-13(9-12(2)17)10-14(15)18/h6-7,10,12H,5,8-9,11,17H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine?
1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine is sourced from PubChem (CID 82340334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).