1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine

C18H24N2O — CID 28671880

IUPAC1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCC(C)CCOc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C18H24N2O/c1-15(2)9-11-21-18-7-5-16(6-8-18)12-20-14-17-4-3-10-19-13-17/h3-8,10,13,15,20H,9,11-12,14H2,1-2H3
InChIKeyUDVKHDSQVVVZJE-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.80
Rot. Bonds8

About 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine

1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 28671880) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID28671880
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCC(C)CCOc1ccc(CNCc2cccnc2)cc1
InChIInChI=1S/C18H24N2O/c1-15(2)9-11-21-18-7-5-16(6-8-18)12-20-14-17-4-3-10-19-13-17/h3-8,10,13,15,20H,9,11-12,14H2,1-2H3
InChIKeyUDVKHDSQVVVZJE-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62196983
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764090
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine (CID 28671880) is 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine is CC(C)CCOc1ccc(CNCc2cccnc2)cc1.
What is the InChIKey of 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is UDVKHDSQVVVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(2)9-11-21-18-7-5-16(6-8-18)12-20-14-17-4-3-10-19-13-17/h3-8,10,13,15,20H,9,11-12,14H2,1-2H3.
What are the key properties of 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine?
1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 28671880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).