1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine

C19H26N2 — CID 43203644

IUPAC1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCCCCc1ccc(C(C)NC(C)c2cccnc2)cc1
InChIInChI=1S/C19H26N2/c1-4-5-7-17-9-11-18(12-10-17)15(2)21-16(3)19-8-6-13-20-14-19/h6,8-16,21H,4-5,7H2,1-3H3
InChIKeyRBOCXSZEVSTNKI-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.84
Rot. Bonds7

About 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine

1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine (PubChem CID 43203644) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
PubChem CID43203644
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCCCCc1ccc(C(C)NC(C)c2cccnc2)cc1
InChIInChI=1S/C19H26N2/c1-4-5-7-17-9-11-18(12-10-17)15(2)21-16(3)19-8-6-13-20-14-19/h6,8-16,21H,4-5,7H2,1-3H3
InChIKeyRBOCXSZEVSTNKI-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine (CID 43203644) is 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine is CCCCc1ccc(C(C)NC(C)c2cccnc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
The InChIKey is RBOCXSZEVSTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-5-7-17-9-11-18(12-10-17)15(2)21-16(3)19-8-6-13-20-14-19/h6,8-16,21H,4-5,7H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine?
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 43203644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).