2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine

C18H21N — CID 174659940

IUPAC2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
SMILESCC(C)C1(c2ccc(Cc3ccccn3)cc2)CC1
InChIInChI=1S/C18H21N/c1-14(2)18(10-11-18)16-8-6-15(7-9-16)13-17-5-3-4-12-19-17/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyDYBBJBSJQNTIMI-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.36
Rot. Bonds4

About 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine

2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine (PubChem CID 174659940) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
PubChem CID174659940
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine
SMILESCC(C)C1(c2ccc(Cc3ccccn3)cc2)CC1
InChIInChI=1S/C18H21N/c1-14(2)18(10-11-18)16-8-6-15(7-9-16)13-17-5-3-4-12-19-17/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyDYBBJBSJQNTIMI-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[4-(1-nonylcyclopropyl)phenyl]methyl]pyridine
CID 174659944
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol
CID 66459097
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176
3-[4-(pyridin-2-ylmethyl)phenyl]propanoic acid
CID 19840714
2-methyl-4-(pyridin-2-ylmethyl)pyridine
CID 15271106
2-benzylpyridine;(Z)-but-2-enedioic acid
CID 5356234
4-(dimethylamino)-4-[4-(pyridin-2-ylmethyl)phenyl]butan-2-one
CID 59078586
[4-(pyridin-2-ylmethyl)phenyl] carbamate
CID 174850668
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
(1S)-1-(1-methylcyclopropyl)-2-pyridin-2-ylethanamine
CID 135132633

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine?
The IUPAC name of 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine (CID 174659940) is 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine is CC(C)C1(c2ccc(Cc3ccccn3)cc2)CC1.
What is the InChIKey of 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine?
The InChIKey is DYBBJBSJQNTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-14(2)18(10-11-18)16-8-6-15(7-9-16)13-17-5-3-4-12-19-17/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine?
2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine has a molecular weight of 251.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-propan-2-ylcyclopropyl)phenyl]methyl]pyridine is sourced from PubChem (CID 174659940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).