N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine

C15H24N2O — CID 61212892

IUPACN-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
SMILESCCOc1ccc(CNC2CCCN(C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-6-13(7-9-15)11-16-14-5-4-10-17(2)12-14/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyLERZHIZEIKSAHH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine

N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 61212892) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID61212892
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
SMILESCCOc1ccc(CNC2CCCN(C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-6-13(7-9-15)11-16-14-5-4-10-17(2)12-14/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyLERZHIZEIKSAHH-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
4-(4-ethoxyphenoxy)-1,3-dimethylazepane
CID 23339374

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine (CID 61212892) is N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine is CCOc1ccc(CNC2CCCN(C)C2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is LERZHIZEIKSAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-8-6-13(7-9-15)11-16-14-5-4-10-17(2)12-14/h6-9,14,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine?
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61212892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).