4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol

C17H22N2O — CID 62322123

IUPAC4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
SMILESCc1cccc(CNC(C)CCc2ccc(O)cc2)n1
InChIInChI=1S/C17H22N2O/c1-13(6-7-15-8-10-17(20)11-9-15)18-12-16-5-3-4-14(2)19-16/h3-5,8-11,13,18,20H,6-7,12H2,1-2H3
InChIKeyRXUSBCIBAMCHBH-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.21
Rot. Bonds6

About 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol

4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol (PubChem CID 62322123) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
PubChem CID62322123
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
SMILESCc1cccc(CNC(C)CCc2ccc(O)cc2)n1
InChIInChI=1S/C17H22N2O/c1-13(6-7-15-8-10-17(20)11-9-15)18-12-16-5-3-4-14(2)19-16/h3-5,8-11,13,18,20H,6-7,12H2,1-2H3
InChIKeyRXUSBCIBAMCHBH-UHFFFAOYSA-N
XLogP3.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-(furan-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 62322509
4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
CID 62321765
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
CID 82939144
4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
CID 82732195
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
1-(2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 114829687
4-[3-[(3-methylfuran-2-yl)methylamino]butyl]phenol
CID 115653278
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 115710700

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol (CID 62322123) is 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol is Cc1cccc(CNC(C)CCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol?
The InChIKey is RXUSBCIBAMCHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(6-7-15-8-10-17(20)11-9-15)18-12-16-5-3-4-14(2)19-16/h3-5,8-11,13,18,20H,6-7,12H2,1-2H3.
What are the key properties of 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol?
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol has a molecular weight of 270.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol is sourced from PubChem (CID 62322123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).