3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline

C16H20N2O — CID 117029128

IUPAC3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
SMILESCCOc1ccc(N(C)c2cccc(CN)c2)cc1
InChIInChI=1S/C16H20N2O/c1-3-19-16-9-7-14(8-10-16)18(2)15-6-4-5-13(11-15)12-17/h4-11H,3,12,17H2,1-2H3
InChIKeyUCAFPYBCVSPIOQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.31
Rot. Bonds5

About 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline

3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline (PubChem CID 117029128) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
PubChem CID117029128
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
SMILESCCOc1ccc(N(C)c2cccc(CN)c2)cc1
InChIInChI=1S/C16H20N2O/c1-3-19-16-9-7-14(8-10-16)18(2)15-6-4-5-13(11-15)12-17/h4-11H,3,12,17H2,1-2H3
InChIKeyUCAFPYBCVSPIOQ-UHFFFAOYSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
[3-[(4-ethoxyphenyl)methyl]phenyl]methanamine
CID 116926187
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
4-ethoxyaniline;phenylmethanamine
CID 172737441
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
N-(4-ethoxyphenyl)-N,4-dimethylaniline
CID 20575987
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
N-[3-(aminomethyl)phenyl]-N-methyl-1,3-benzoxazol-6-amine
CID 117041534

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline (CID 117029128) is 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline is CCOc1ccc(N(C)c2cccc(CN)c2)cc1.
What is the InChIKey of 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline?
The InChIKey is UCAFPYBCVSPIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-19-16-9-7-14(8-10-16)18(2)15-6-4-5-13(11-15)12-17/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline?
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline is sourced from PubChem (CID 117029128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).