N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine

C17H22N2O — CID 60892058

IUPACN-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
SMILESCCC(NC)c1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C17H22N2O/c1-3-17(18-2)15-4-6-16(7-5-15)20-13-10-14-8-11-19-12-9-14/h4-9,11-12,17-18H,3,10,13H2,1-2H3
InChIKeyKSFKOEXRCIDQPD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds7

About N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine

N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine (PubChem CID 60892058) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
PubChem CID60892058
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
SMILESCCC(NC)c1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C17H22N2O/c1-3-17(18-2)15-4-6-16(7-5-15)20-13-10-14-8-11-19-12-9-14/h4-9,11-12,17-18H,3,10,13H2,1-2H3
InChIKeyKSFKOEXRCIDQPD-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105144167
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
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
CID 61494811
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
[1-(4-propoxyphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212522
N-ethyl-1-[4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 43285904
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine (CID 60892058) is N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine is CCC(NC)c1ccc(OCCc2ccncc2)cc1.
What is the InChIKey of N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine?
The InChIKey is KSFKOEXRCIDQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-17(18-2)15-4-6-16(7-5-15)20-13-10-14-8-11-19-12-9-14/h4-9,11-12,17-18H,3,10,13H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine?
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 60892058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).