[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine

C16H20N2 — CID 43198863

IUPAC[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
SMILESCC(C)Cc1ccc(C(N)c2cccnc2)cc1
InChIInChI=1S/C16H20N2/c1-12(2)10-13-5-7-14(8-6-13)16(17)15-4-3-9-18-11-15/h3-9,11-12,16H,10,17H2,1-2H3
InChIKeyVZXBJFDJZXTNAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.33
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine

[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine (PubChem CID 43198863) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
PubChem CID43198863
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
SMILESCC(C)Cc1ccc(C(N)c2cccnc2)cc1
InChIInChI=1S/C16H20N2/c1-12(2)10-13-5-7-14(8-6-13)16(17)15-4-3-9-18-11-15/h3-9,11-12,16H,10,17H2,1-2H3
InChIKeyVZXBJFDJZXTNAX-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-pyridin-3-ylmethanamine;dihydrochloride
CID 117071668
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
1-[4-(2-methylpropyl)phenyl]-N-(2-pyridin-3-ylethyl)ethanamine
CID 60896080
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanamine
CID 93422741

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine?
The IUPAC name of [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine (CID 43198863) is [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine is CC(C)Cc1ccc(C(N)c2cccnc2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine?
The InChIKey is VZXBJFDJZXTNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)10-13-5-7-14(8-6-13)16(17)15-4-3-9-18-11-15/h3-9,11-12,16H,10,17H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine?
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 43198863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).