N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine

C17H25N3O — CID 105175045

IUPACN-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCOc1cccc(C)c1)Cc1ccn(C)n1
InChIInChI=1S/C17H25N3O/c1-4-18-15(13-16-8-10-20(3)19-16)9-11-21-17-7-5-6-14(2)12-17/h5-8,10,12,15,18H,4,9,11,13H2,1-3H3
InChIKeyGFEIWCAITXTLPN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.72
Rot. Bonds8

About N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine

N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine (PubChem CID 105175045) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
PubChem CID105175045
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCOc1cccc(C)c1)Cc1ccn(C)n1
InChIInChI=1S/C17H25N3O/c1-4-18-15(13-16-8-10-20(3)19-16)9-11-21-17-7-5-6-14(2)12-17/h5-8,10,12,15,18H,4,9,11,13H2,1-3H3
InChIKeyGFEIWCAITXTLPN-UHFFFAOYSA-N
XLogP2.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
[1-(1-ethylimidazol-2-yl)-4-(3-methylphenoxy)butan-2-yl]hydrazine
CID 105321937
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82875994
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
N-ethyl-1-(2-methyltetrazol-5-yl)-4-phenoxybutan-2-amine
CID 107048302
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
N-methyl-3-(3-methylphenoxy)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104689

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine (CID 105175045) is N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine is CCNC(CCOc1cccc(C)c1)Cc1ccn(C)n1.
What is the InChIKey of N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is GFEIWCAITXTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-18-15(13-16-8-10-20(3)19-16)9-11-21-17-7-5-6-14(2)12-17/h5-8,10,12,15,18H,4,9,11,13H2,1-3H3.
What are the key properties of N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine?
N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylphenoxy)-1-(1-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 105175045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).