N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine

C16H26N2O — CID 62431673

IUPACN-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
SMILESCCNCc1ccc(CN(C)C2CCOCC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-17-12-14-4-6-15(7-5-14)13-18(2)16-8-10-19-11-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyRWLDARDPHVRINE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds6

About N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine

N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine (PubChem CID 62431673) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
PubChem CID62431673
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine
SMILESCCNCc1ccc(CN(C)C2CCOCC2)cc1
InChIInChI=1S/C16H26N2O/c1-3-17-12-14-4-6-15(7-5-14)13-18(2)16-8-10-19-11-9-16/h4-7,16-17H,3,8-13H2,1-2H3
InChIKeyRWLDARDPHVRINE-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyloxan-4-amine
CID 55073850
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
4-[[methyl(oxan-4-yl)amino]methyl]benzoic acid
CID 43611411
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82749172
4-[[methyl(oxan-4-yl)amino]methyl]benzenecarbothioamide
CID 43611189
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methyloxan-4-amine
CID 55073992
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-[2-[4-(ethylaminomethyl)phenoxy]ethyl]-N-methyloxolan-3-amine
CID 82753827
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62418713
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82753990
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine (CID 62431673) is N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine is CCNCc1ccc(CN(C)C2CCOCC2)cc1.
What is the InChIKey of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine?
The InChIKey is RWLDARDPHVRINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-12-14-4-6-15(7-5-14)13-18(2)16-8-10-19-11-9-16/h4-7,16-17H,3,8-13H2,1-2H3.
What are the key properties of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine?
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 62431673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).