3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine

C23H26N2O — CID 55625647

IUPAC3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
SMILESCc1ccc(OCCCNC(c2ccccc2)c2ccccn2)cc1C
InChIInChI=1S/C23H26N2O/c1-18-12-13-21(17-19(18)2)26-16-8-15-25-23(20-9-4-3-5-10-20)22-11-6-7-14-24-22/h3-7,9-14,17,23,25H,8,15-16H2,1-2H3
InChIKeyAZHAOTGXZIVREG-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.85
Rot. Bonds8

About 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine

3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine (PubChem CID 55625647) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
PubChem CID55625647
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine
SMILESCc1ccc(OCCCNC(c2ccccc2)c2ccccn2)cc1C
InChIInChI=1S/C23H26N2O/c1-18-12-13-21(17-19(18)2)26-16-8-15-25-23(20-9-4-3-5-10-20)22-11-6-7-14-24-22/h3-7,9-14,17,23,25H,8,15-16H2,1-2H3
InChIKeyAZHAOTGXZIVREG-UHFFFAOYSA-N
XLogP4.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
3-(1,3-benzodioxol-5-yloxy)-N-[(R)-(3-methoxyphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 100611469
5-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]pentan-1-amine
CID 104926413
4,4,4-trifluoro-N-[phenyl(pyridin-2-yl)methyl]butan-1-amine
CID 115516236
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 32670529
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine (CID 55625647) is 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine is Cc1ccc(OCCCNC(c2ccccc2)c2ccccn2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine?
The InChIKey is AZHAOTGXZIVREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-18-12-13-21(17-19(18)2)26-16-8-15-25-23(20-9-4-3-5-10-20)22-11-6-7-14-24-22/h3-7,9-14,17,23,25H,8,15-16H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine?
3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine has a molecular weight of 346.47 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 55625647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).