3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine

C17H21ClN2 — CID 59546346

IUPAC3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine
SMILESCCCCc1ccc(CCc2ccc(Cl)nc2N)cc1
InChIInChI=1S/C17H21ClN2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-11-12-16(18)20-17(15)19/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20)
InChIKeyUDDFOVUXTWSKPP-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.45
Rot. Bonds6

About 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine

3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine (PubChem CID 59546346) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine
PubChem CID59546346
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine
SMILESCCCCc1ccc(CCc2ccc(Cl)nc2N)cc1
InChIInChI=1S/C17H21ClN2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-11-12-16(18)20-17(15)19/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20)
InChIKeyUDDFOVUXTWSKPP-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-propylpyridin-2-amine
CID 71433192
5-[2-(4-ethylphenyl)ethyl]-6-methyl-3-pentylpyridin-2-amine
CID 167157109
6-methyl-3-pentylpyridin-2-amine
CID 167157111
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
2,6-dichloro-3-propylpyridine
CID 23131294
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
4-[[4-[2-[4-[(4-amino-2-butylphenyl)methyl]phenyl]ethyl]phenyl]methyl]-3-butylaniline
CID 22920306
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine?
The IUPAC name of 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine (CID 59546346) is 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine.
What is the SMILES notation for 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine?
The canonical SMILES for 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine is CCCCc1ccc(CCc2ccc(Cl)nc2N)cc1.
What is the InChIKey of 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine?
The InChIKey is UDDFOVUXTWSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-3-4-13-5-7-14(8-6-13)9-10-15-11-12-16(18)20-17(15)19/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20).
What are the key properties of 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine?
3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine has a molecular weight of 288.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-butylphenyl)ethyl]-6-chloropyridin-2-amine is sourced from PubChem (CID 59546346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).