N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine

C14H20N2O2 — CID 61151159

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESc1ccc2c(c1)NCC(CNCC1CCCO1)O2
InChIInChI=1S/C14H20N2O2/c1-2-6-14-13(5-1)16-10-12(18-14)9-15-8-11-4-3-7-17-11/h1-2,5-6,11-12,15-16H,3-4,7-10H2
InChIKeyNXBYCLCWWBJMFK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds4

About N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 61151159) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID61151159
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESc1ccc2c(c1)NCC(CNCC1CCCO1)O2
InChIInChI=1S/C14H20N2O2/c1-2-6-14-13(5-1)16-10-12(18-14)9-15-8-11-4-3-7-17-11/h1-2,5-6,11-12,15-16H,3-4,7-10H2
InChIKeyNXBYCLCWWBJMFK-UHFFFAOYSA-N
XLogP1.63
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 55013332
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913570
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-ethylpentan-3-amine
CID 65041406
2-(cyclopentyloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 117051051
N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61435902
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
2-[(4,4-dimethylazepan-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 65282637
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(oxolan-2-ylmethyl)-9H-xanthen-9-amine
CID 43344208
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-[[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]methyl]methanamine;dihydrochloride
CID 157278994
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262470

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 61151159) is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine is c1ccc2c(c1)NCC(CNCC1CCCO1)O2.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is NXBYCLCWWBJMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-6-14-13(5-1)16-10-12(18-14)9-15-8-11-4-3-7-17-11/h1-2,5-6,11-12,15-16H,3-4,7-10H2.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 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)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 61151159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).