1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine

C14H24N2O — CID 105498192

IUPAC1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1ccc(OC)c(CN)c1
InChIInChI=1S/C14H24N2O/c1-5-16(6-2)11(3)12-7-8-14(17-4)13(9-12)10-15/h7-9,11H,5-6,10,15H2,1-4H3
InChIKeyIVLWANQLTNDKMD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.56
Rot. Bonds6

About 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine

1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine (PubChem CID 105498192) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
PubChem CID105498192
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1ccc(OC)c(CN)c1
InChIInChI=1S/C14H24N2O/c1-5-16(6-2)11(3)12-7-8-14(17-4)13(9-12)10-15/h7-9,11H,5-6,10,15H2,1-4H3
InChIKeyIVLWANQLTNDKMD-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
CID 105496652
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 60861216
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
CID 89164345
CID 89164345
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65338517
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
3-(aminomethyl)-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988543
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine?
The IUPAC name of 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine (CID 105498192) is 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine.
What is the SMILES notation for 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine?
The canonical SMILES for 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine is CCN(CC)C(C)c1ccc(OC)c(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine?
The InChIKey is IVLWANQLTNDKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-16(6-2)11(3)12-7-8-14(17-4)13(9-12)10-15/h7-9,11H,5-6,10,15H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine?
1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine is sourced from PubChem (CID 105498192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).