1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C14H20N4O — CID 114686853

IUPAC1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1ccc(OC)cc1
InChIInChI=1S/C14H20N4O/c1-4-9-18-13(10-16-17-18)14(15-2)11-5-7-12(19-3)8-6-11/h5-8,10,14-15H,4,9H2,1-3H3
InChIKeySHJXAAKEKJHKCR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 114686853) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID114686853
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1ccc(OC)cc1
InChIInChI=1S/C14H20N4O/c1-4-9-18-13(10-16-17-18)14(15-2)11-5-7-12(19-3)8-6-11/h5-8,10,14-15H,4,9H2,1-3H3
InChIKeySHJXAAKEKJHKCR-UHFFFAOYSA-N
XLogP2.01
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038760
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
N-[(2-bromo-5-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182104
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105192382
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 114686853) is 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is SHJXAAKEKJHKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9-18-13(10-16-17-18)14(15-2)11-5-7-12(19-3)8-6-11/h5-8,10,14-15H,4,9H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114686853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).