N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline

C16H26N2O — CID 62391682

IUPACN,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
SMILESCNCC1(CN(C)c2ccccc2C)CCOCC1
InChIInChI=1S/C16H26N2O/c1-14-6-4-5-7-15(14)18(3)13-16(12-17-2)8-10-19-11-9-16/h4-7,17H,8-13H2,1-3H3
InChIKeyOGKYZYRXSJBNEY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds5

About N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline

N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline (PubChem CID 62391682) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
PubChem CID62391682
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
SMILESCNCC1(CN(C)c2ccccc2C)CCOCC1
InChIInChI=1S/C16H26N2O/c1-14-6-4-5-7-15(14)18(3)13-16(12-17-2)8-10-19-11-9-16/h4-7,17H,8-13H2,1-3H3
InChIKeyOGKYZYRXSJBNEY-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]aniline
CID 62260099
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,2-dimethylaniline
CID 63739631
2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline
CID 63739930
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 55178372
2-methoxy-N,4,5-trimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244616
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62985578
4-[[methyl-(2-methylphenyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293105

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline?
The IUPAC name of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline (CID 62391682) is N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline.
What is the SMILES notation for N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline?
The canonical SMILES for N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline is CNCC1(CN(C)c2ccccc2C)CCOCC1.
What is the InChIKey of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline?
The InChIKey is OGKYZYRXSJBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-6-4-5-7-15(14)18(3)13-16(12-17-2)8-10-19-11-9-16/h4-7,17H,8-13H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline?
N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline is sourced from PubChem (CID 62391682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).