1-(4-benzyloxan-4-yl)-N-methylmethanamine

C14H21NO — CID 62905192

IUPAC1-(4-benzyloxan-4-yl)-N-methylmethanamine
SMILESCNCC1(Cc2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO/c1-15-12-14(7-9-16-10-8-14)11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyNVBXAPIGPXCGKR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-benzyloxan-4-yl)-N-methylmethanamine

1-(4-benzyloxan-4-yl)-N-methylmethanamine (PubChem CID 62905192) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-benzyloxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-benzyloxan-4-yl)-N-methylmethanamine
PubChem CID62905192
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-benzyloxan-4-yl)-N-methylmethanamine
SMILESCNCC1(Cc2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO/c1-15-12-14(7-9-16-10-8-14)11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3
InChIKeyNVBXAPIGPXCGKR-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
1-[4-[(4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906604
4-benzyl-4-(chloromethyl)oxane
CID 66033304
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
N-methyl-1-[3-(2-phenoxyethyl)oxolan-3-yl]methanamine
CID 62717701
N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
CID 62391682
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 62719550
1-[4-[(2-bromo-4-fluorophenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62906086

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyloxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-benzyloxan-4-yl)-N-methylmethanamine (CID 62905192) is 1-(4-benzyloxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-benzyloxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-benzyloxan-4-yl)-N-methylmethanamine is CNCC1(Cc2ccccc2)CCOCC1.
What is the InChIKey of 1-(4-benzyloxan-4-yl)-N-methylmethanamine?
The InChIKey is NVBXAPIGPXCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-12-14(7-9-16-10-8-14)11-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3.
What are the key properties of 1-(4-benzyloxan-4-yl)-N-methylmethanamine?
1-(4-benzyloxan-4-yl)-N-methylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyloxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 62905192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).