2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline

C18H25N3O — CID 82153253

IUPAC2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
SMILESCC(C)Oc1ccc(CCCNCc2ccncc2)cc1N
InChIInChI=1S/C18H25N3O/c1-14(2)22-18-6-5-15(12-17(18)19)4-3-9-21-13-16-7-10-20-11-8-16/h5-8,10-12,14,21H,3-4,9,13,19H2,1-2H3
InChIKeyMFKFDHIOBYUPHF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.17
Rot. Bonds8

About 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline

2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline (PubChem CID 82153253) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
PubChem CID82153253
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
SMILESCC(C)Oc1ccc(CCCNCc2ccncc2)cc1N
InChIInChI=1S/C18H25N3O/c1-14(2)22-18-6-5-15(12-17(18)19)4-3-9-21-13-16-7-10-20-11-8-16/h5-8,10-12,14,21H,3-4,9,13,19H2,1-2H3
InChIKeyMFKFDHIOBYUPHF-UHFFFAOYSA-N
XLogP3.17
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
2-(2-methylpropoxy)-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 94759809
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
CID 94759867
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
CID 82153259
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline?
The IUPAC name of 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline (CID 82153253) is 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline.
What is the SMILES notation for 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline?
The canonical SMILES for 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline is CC(C)Oc1ccc(CCCNCc2ccncc2)cc1N.
What is the InChIKey of 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline?
The InChIKey is MFKFDHIOBYUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)22-18-6-5-15(12-17(18)19)4-3-9-21-13-16-7-10-20-11-8-16/h5-8,10-12,14,21H,3-4,9,13,19H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline?
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline has a molecular weight of 299.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline is sourced from PubChem (CID 82153253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).