N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine

C19H25NO — CID 43276733

IUPACN-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-4-20-14-18-12-15(2)19(16(3)13-18)21-11-10-17-8-6-5-7-9-17/h5-9,12-13,20H,4,10-11,14H2,1-3H3
InChIKeyVMFAGSDEYMRZCA-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.03
Rot. Bonds7

About N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine

N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine (PubChem CID 43276733) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
PubChem CID43276733
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCCc2ccccc2)c(C)c1
InChIInChI=1S/C19H25NO/c1-4-20-14-18-12-15(2)19(16(3)13-18)21-11-10-17-8-6-5-7-9-17/h5-9,12-13,20H,4,10-11,14H2,1-3H3
InChIKeyVMFAGSDEYMRZCA-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
N-[[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936905
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
3-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-methylpropanamide
CID 62326548
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 63062517
N-[[3,5-dimethyl-4-(2-propylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721959
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
N-benzylethanamine;tris(yttrium)
CID 158198357
N-[[3,5-dimethyl-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041105
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine (CID 43276733) is N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine is CCNCc1cc(C)c(OCCc2ccccc2)c(C)c1.
What is the InChIKey of N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine?
The InChIKey is VMFAGSDEYMRZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-20-14-18-12-15(2)19(16(3)13-18)21-11-10-17-8-6-5-7-9-17/h5-9,12-13,20H,4,10-11,14H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine?
N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43276733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).