N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine

C17H22N2OS — CID 61452567

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccs1)CC1CNc2ccccc2O1
InChIInChI=1S/C17H22N2OS/c1-13(2)19(12-15-6-5-9-21-15)11-14-10-18-16-7-3-4-8-17(16)20-14/h3-9,13-14,18H,10-12H2,1-2H3
InChIKeyACHUBBROQFOYFK-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.83
Rot. Bonds5

About N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 61452567) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID61452567
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cccs1)CC1CNc2ccccc2O1
InChIInChI=1S/C17H22N2OS/c1-13(2)19(12-15-6-5-9-21-15)11-14-10-18-16-7-3-4-8-17(16)20-14/h3-9,13-14,18H,10-12H2,1-2H3
InChIKeyACHUBBROQFOYFK-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine with MolForge

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Related Compounds

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55000974
N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80563360
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 43527003
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine
CID 43199652
1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine
CID 61480688
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409
2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228863
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
N-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565285
2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384073
N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine (CID 61452567) is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cccs1)CC1CNc2ccccc2O1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is ACHUBBROQFOYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13(2)19(12-15-6-5-9-21-15)11-14-10-18-16-7-3-4-8-17(16)20-14/h3-9,13-14,18H,10-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine?
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 302.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 61452567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).