N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine

C16H24N4O — CID 107053022

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(OC)c1)Cc1cn(C)nn1
InChIInChI=1S/C16H24N4O/c1-4-17-11-14(9-15-12-20(2)19-18-15)8-13-6-5-7-16(10-13)21-3/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3
InChIKeyKVEQXWVDVQJHSC-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.83
Rot. Bonds8

About N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine

N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (PubChem CID 107053022) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
PubChem CID107053022
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
SMILESCCNCC(Cc1cccc(OC)c1)Cc1cn(C)nn1
InChIInChI=1S/C16H24N4O/c1-4-17-11-14(9-15-12-20(2)19-18-15)8-13-6-5-7-16(10-13)21-3/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3
InChIKeyKVEQXWVDVQJHSC-UHFFFAOYSA-N
XLogP1.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
4-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-1-methyltriazole
CID 107058155
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
2-benzyl-3-(1-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 107052862
2-[(3-bromophenyl)methyl]-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053010
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
2-[(4-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052817
N-[2-[(3-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053018

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine (CID 107053022) is N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is CCNCC(Cc1cccc(OC)c1)Cc1cn(C)nn1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
The InChIKey is KVEQXWVDVQJHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-17-11-14(9-15-12-20(2)19-18-15)8-13-6-5-7-16(10-13)21-3/h5-7,10,12,14,17H,4,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine?
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107053022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).