2-propyl-N-(1-pyridin-4-ylethyl)aniline

C16H20N2 — CID 43687389

IUPAC2-propyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCCCc1ccccc1NC(C)c1ccncc1
InChIInChI=1S/C16H20N2/c1-3-6-15-7-4-5-8-16(15)18-13(2)14-9-11-17-12-10-14/h4-5,7-13,18H,3,6H2,1-2H3
InChIKeyLORISWHNUQGFFL-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.21
Rot. Bonds5

About 2-propyl-N-(1-pyridin-4-ylethyl)aniline

2-propyl-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43687389) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-propyl-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-propyl-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43687389
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-propyl-N-(1-pyridin-4-ylethyl)aniline
SMILESCCCc1ccccc1NC(C)c1ccncc1
InChIInChI=1S/C16H20N2/c1-3-6-15-7-4-5-8-16(15)18-13(2)14-9-11-17-12-10-14/h4-5,7-13,18H,3,6H2,1-2H3
InChIKeyLORISWHNUQGFFL-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
2-ethylsulfonyl-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 93096842
N-[1-(2-bromophenyl)ethyl]-2-propylaniline
CID 43687403
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
CID 43687355
2-prop-2-enylsulfanyl-N-(1-pyridin-4-ylethyl)aniline
CID 54862461
N-[1-(1-benzofuran-2-yl)ethyl]-2-propylaniline
CID 43687342
N-[1-(4-bromothiophen-2-yl)ethyl]-2-propylaniline
CID 107354041
2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 43524170
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-(3-phenylbutyl)-2-propylaniline
CID 63434100

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-propyl-N-(1-pyridin-4-ylethyl)aniline (CID 43687389) is 2-propyl-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-propyl-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-propyl-N-(1-pyridin-4-ylethyl)aniline is CCCc1ccccc1NC(C)c1ccncc1.
What is the InChIKey of 2-propyl-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is LORISWHNUQGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-6-15-7-4-5-8-16(15)18-13(2)14-9-11-17-12-10-14/h4-5,7-13,18H,3,6H2,1-2H3.
What are the key properties of 2-propyl-N-(1-pyridin-4-ylethyl)aniline?
2-propyl-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 240.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43687389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).