N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine

C18H22N2O — CID 76938464

IUPACN-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC=Cc1ccccc1Oc1ncccc1CNC(C)C
InChIInChI=1S/C18H22N2O/c1-4-8-15-9-5-6-11-17(15)21-18-16(10-7-12-19-18)13-20-14(2)3/h4-12,14,20H,13H2,1-3H3
InChIKeyMNMKDUWNXIEJNW-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.41
Rot. Bonds6

About N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 76938464) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID76938464
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC=Cc1ccccc1Oc1ncccc1CNC(C)C
InChIInChI=1S/C18H22N2O/c1-4-8-15-9-5-6-11-17(15)21-18-16(10-7-12-19-18)13-20-14(2)3/h4-12,14,20H,13H2,1-3H3
InChIKeyMNMKDUWNXIEJNW-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63648734
N-[[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 76938428
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322927
3-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]benzoic acid
CID 118927518
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine (CID 76938464) is N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine is CC=Cc1ccccc1Oc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is MNMKDUWNXIEJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-8-15-9-5-6-11-17(15)21-18-16(10-7-12-19-18)13-20-14(2)3/h4-12,14,20H,13H2,1-3H3.
What are the key properties of N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-prop-1-enylphenoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 76938464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).