N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine

C18H24N2O — CID 105144167

IUPACN-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCCOc1ccc(C(CCc2ccncc2)NC)cc1
InChIInChI=1S/C18H24N2O/c1-3-14-21-17-7-5-16(6-8-17)18(19-2)9-4-15-10-12-20-13-11-15/h5-8,10-13,18-19H,3-4,9,14H2,1-2H3
InChIKeyVRXNCTKSHUTHJS-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds8

About N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine

N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105144167) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105144167
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCCCOc1ccc(C(CCc2ccncc2)NC)cc1
InChIInChI=1S/C18H24N2O/c1-3-14-21-17-7-5-16(6-8-17)18(19-2)9-4-15-10-12-20-13-11-15/h5-8,10-13,18-19H,3-4,9,14H2,1-2H3
InChIKeyVRXNCTKSHUTHJS-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
[1-(4-propoxyphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212522
1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105173190
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
CID 115001497
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 60891122
(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
1-(4-butoxyphenyl)-N-methylhex-4-yn-1-amine
CID 105181567

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine (CID 105144167) is N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine is CCCOc1ccc(C(CCc2ccncc2)NC)cc1.
What is the InChIKey of N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is VRXNCTKSHUTHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-14-21-17-7-5-16(6-8-17)18(19-2)9-4-15-10-12-20-13-11-15/h5-8,10-13,18-19H,3-4,9,14H2,1-2H3.
What are the key properties of N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105144167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).