1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine

C15H18N2O2 — CID 43527003

IUPAC1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccco1)CC1CNc2ccccc2O1
InChIInChI=1S/C15H18N2O2/c1-17(10-12-5-4-8-18-12)11-13-9-16-14-6-2-3-7-15(14)19-13/h2-8,13,16H,9-11H2,1H3
InChIKeyAMHWBGMOMIFAFY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.58
Rot. Bonds4

About 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine

1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine (PubChem CID 43527003) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
PubChem CID43527003
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccco1)CC1CNc2ccccc2O1
InChIInChI=1S/C15H18N2O2/c1-17(10-12-5-4-8-18-12)11-13-9-16-14-6-2-3-7-15(14)19-13/h2-8,13,16H,9-11H2,1H3
InChIKeyAMHWBGMOMIFAFY-UHFFFAOYSA-N
XLogP2.58
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine
CID 43199652
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61452567
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N,1-dimethylpiperidin-3-amine
CID 62545756
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55000974
2-hexyl-3,4-dihydro-2H-1,4-benzoxazine
CID 86212480
2-[(2-ethylphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82228863
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 124847386
N-[[5-[[furan-2-ylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62421548
2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43199391
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-3-ethylpentan-3-amine
CID 65041406

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine (CID 43527003) is 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine is CN(Cc1ccco1)CC1CNc2ccccc2O1.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
The InChIKey is AMHWBGMOMIFAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(10-12-5-4-8-18-12)11-13-9-16-14-6-2-3-7-15(14)19-13/h2-8,13,16H,9-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 43527003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).