1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

C19H26N2 — CID 60903436

IUPAC1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCCc2ccncc2)cc1
InChIInChI=1S/C19H26N2/c1-3-4-5-17-6-8-19(9-7-17)16(2)21-15-12-18-10-13-20-14-11-18/h6-11,13-14,16,21H,3-5,12,15H2,1-2H3
InChIKeyJZAHZOSSGZMGSO-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.32
Rot. Bonds8

About 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine

1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (PubChem CID 60903436) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
PubChem CID60903436
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
SMILESCCCCc1ccc(C(C)NCCc2ccncc2)cc1
InChIInChI=1S/C19H26N2/c1-3-4-5-17-6-8-19(9-7-17)16(2)21-15-12-18-10-13-20-14-11-18/h6-11,13-14,16,21H,3-5,12,15H2,1-2H3
InChIKeyJZAHZOSSGZMGSO-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
N-[1-(4-butylphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63478035
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
1-(4-butylphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515376
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine (CID 60903436) is 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is CCCCc1ccc(C(C)NCCc2ccncc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
The InChIKey is JZAHZOSSGZMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-4-5-17-6-8-19(9-7-17)16(2)21-15-12-18-10-13-20-14-11-18/h6-11,13-14,16,21H,3-5,12,15H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine?
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine is sourced from PubChem (CID 60903436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).