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

C15H22N2O2 — CID 55013332

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine
SMILESc1ccc2c(c1)NCC(CNCC1CCCCO1)O2
InChIInChI=1S/C15H22N2O2/c1-2-7-15-14(6-1)17-11-13(19-15)10-16-9-12-5-3-4-8-18-12/h1-2,6-7,12-13,16-17H,3-5,8-11H2
InChIKeyGJFWMQNAXQSAMF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.02
Rot. Bonds4

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

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine (PubChem CID 55013332) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine
PubChem CID55013332
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine
SMILESc1ccc2c(c1)NCC(CNCC1CCCCO1)O2
InChIInChI=1S/C15H22N2O2/c1-2-7-15-14(6-1)17-11-13(19-15)10-16-9-12-5-3-4-8-18-12/h1-2,6-7,12-13,16-17H,3-5,8-11H2
InChIKeyGJFWMQNAXQSAMF-UHFFFAOYSA-N
XLogP2.02
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.02
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-(oxolan-2-yl)methanamine
CID 61151159
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913570
1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine
CID 61480688
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
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262470
N-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61435902
N-(furan-2-ylmethyl)-1-(oxan-2-yl)methanamine
CID 43403599
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
CID 79221459
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
CID 106902048
2-[(4,4-dimethylazepan-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 65282637

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine (CID 55013332) is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine is c1ccc2c(c1)NCC(CNCC1CCCCO1)O2.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine?
The InChIKey is GJFWMQNAXQSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-7-15-14(6-1)17-11-13(19-15)10-16-9-12-5-3-4-8-18-12/h1-2,6-7,12-13,16-17H,3-5,8-11H2.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine?
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-1-(oxan-2-yl)methanamine has a molecular weight of 262.35 g/mol, XLogP of 2.02, 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-(oxan-2-yl)methanamine is sourced from PubChem (CID 55013332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).