4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine

C19H24N2 — CID 166813083

IUPAC4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine
SMILESCc1cncc(-c2ccccc2C2CCC(N)CC2)c1C
InChIInChI=1S/C19H24N2/c1-13-11-21-12-19(14(13)2)18-6-4-3-5-17(18)15-7-9-16(20)10-8-15/h3-6,11-12,15-16H,7-10,20H2,1-2H3
InChIKeyIPRHARMMYRFTLG-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.35
Rot. Bonds2

About 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine

4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine (PubChem CID 166813083) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine
PubChem CID166813083
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine
SMILESCc1cncc(-c2ccccc2C2CCC(N)CC2)c1C
InChIInChI=1S/C19H24N2/c1-13-11-21-12-19(14(13)2)18-6-4-3-5-17(18)15-7-9-16(20)10-8-15/h3-6,11-12,15-16H,7-10,20H2,1-2H3
InChIKeyIPRHARMMYRFTLG-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine (CID 166813083) is 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine is Cc1cncc(-c2ccccc2C2CCC(N)CC2)c1C.
What is the InChIKey of 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine?
The InChIKey is IPRHARMMYRFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-13-11-21-12-19(14(13)2)18-6-4-3-5-17(18)15-7-9-16(20)10-8-15/h3-6,11-12,15-16H,7-10,20H2,1-2H3.
What are the key properties of 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine?
4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethyl-3-pyridinyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 166813083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).