N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine

C19H33NO — CID 63448148

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
SMILESCCOCc1ccccc1CNC(CC(C)C)CC(C)C
InChIInChI=1S/C19H33NO/c1-6-21-14-18-10-8-7-9-17(18)13-20-19(11-15(2)3)12-16(4)5/h7-10,15-16,19-20H,6,11-14H2,1-5H3
InChIKeyANRQFLMZYWMOSW-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.77
Rot. Bonds10

About N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine

N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine (PubChem CID 63448148) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
PubChem CID63448148
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
SMILESCCOCc1ccccc1CNC(CC(C)C)CC(C)C
InChIInChI=1S/C19H33NO/c1-6-21-14-18-10-8-7-9-17(18)13-20-19(11-15(2)3)12-16(4)5/h7-10,15-16,19-20H,6,11-14H2,1-5H3
InChIKeyANRQFLMZYWMOSW-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]propan-2-amine
CID 62445508
2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878966
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 166263473
[2-(ethoxymethyl)phenyl]methylcyanamide
CID 62481050

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine (CID 63448148) is N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine is CCOCc1ccccc1CNC(CC(C)C)CC(C)C.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine?
The InChIKey is ANRQFLMZYWMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-21-14-18-10-8-7-9-17(18)13-20-19(11-15(2)3)12-16(4)5/h7-10,15-16,19-20H,6,11-14H2,1-5H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine has a molecular weight of 291.48 g/mol, XLogP of 4.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 63448148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).