N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine

C16H24N4O — CID 64548241

IUPACN-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(C)Oc1ccc(C(C)NCCCc2ncn[nH]2)cc1
InChIInChI=1S/C16H24N4O/c1-12(2)21-15-8-6-14(7-9-15)13(3)17-10-4-5-16-18-11-19-20-16/h6-9,11-13,17H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyHOMHLGDZJBZMOV-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.88
Rot. Bonds8

About N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine

N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 64548241) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID64548241
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(C)Oc1ccc(C(C)NCCCc2ncn[nH]2)cc1
InChIInChI=1S/C16H24N4O/c1-12(2)21-15-8-6-14(7-9-15)13(3)17-10-4-5-16-18-11-19-20-16/h6-9,11-13,17H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyHOMHLGDZJBZMOV-UHFFFAOYSA-N
XLogP2.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine with MolForge

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548047
N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547875
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 64548302
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517608
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
N-[1-(2-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517417
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620
3,3-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 55155806
N-[1-(2-chlorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547504
1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548139
4,4,4-trifluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]butan-1-amine
CID 81343833
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 64548241) is N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is CC(C)Oc1ccc(C(C)NCCCc2ncn[nH]2)cc1.
What is the InChIKey of N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is HOMHLGDZJBZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)21-15-8-6-14(7-9-15)13(3)17-10-4-5-16-18-11-19-20-16/h6-9,11-13,17H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 64548241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).