N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine

C18H25N3 — CID 123296219

IUPACN-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine
SMILESCCC(CNc1cnccc1C(C)C)c1ccccc1N
InChIInChI=1S/C18H25N3/c1-4-14(16-7-5-6-8-17(16)19)11-21-18-12-20-10-9-15(18)13(2)3/h5-10,12-14,21H,4,11,19H2,1-3H3
InChIKeyMJGXHWCAVUCPGB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine

N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine (PubChem CID 123296219) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine
PubChem CID123296219
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine
SMILESCCC(CNc1cnccc1C(C)C)c1ccccc1N
InChIInChI=1S/C18H25N3/c1-4-14(16-7-5-6-8-17(16)19)11-21-18-12-20-10-9-15(18)13(2)3/h5-10,12-14,21H,4,11,19H2,1-3H3
InChIKeyMJGXHWCAVUCPGB-UHFFFAOYSA-N
XLogP4.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-propan-2-ylpyridin-3-amine
CID 142196462
3-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 146235862
3-(2-propan-2-ylanilino)pyridine-4-carbothioamide
CID 114288058
6-N-(2-propan-2-ylphenyl)isoquinoline-5,6-diamine
CID 106947549
N-(2,3-dimethylbutyl)-2-propan-2-ylaniline
CID 150228795
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
3-[(2-aminophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105223806
2-[1-(butan-2-ylamino)ethyl]aniline
CID 79688173
2-(1-trimethylsilylethyl)aniline
CID 11052509
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
1-[(5-aminoisoquinolin-8-yl)amino]butan-2-ol
CID 103139218
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine?
The IUPAC name of N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine (CID 123296219) is N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine.
What is the SMILES notation for N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine?
The canonical SMILES for N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine is CCC(CNc1cnccc1C(C)C)c1ccccc1N.
What is the InChIKey of N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine?
The InChIKey is MJGXHWCAVUCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-14(16-7-5-6-8-17(16)19)11-21-18-12-20-10-9-15(18)13(2)3/h5-10,12-14,21H,4,11,19H2,1-3H3.
What are the key properties of N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine?
N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine has a molecular weight of 283.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenyl)butyl]-4-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 123296219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).