N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine

C23H27N3O — CID 166385022

IUPACN'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
SMILESCOc1ccccc1-c1ccc(C(C)NCCCNc2ccncc2)cc1
InChIInChI=1S/C23H27N3O/c1-18(25-14-5-15-26-21-12-16-24-17-13-21)19-8-10-20(11-9-19)22-6-3-4-7-23(22)27-2/h3-4,6-13,16-18,25H,5,14-15H2,1-2H3,(H,24,26)
InChIKeyKYADFDCMJYGOFU-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.91
Rot. Bonds9

About N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine

N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine (PubChem CID 166385022) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
PubChem CID166385022
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
SMILESCOc1ccccc1-c1ccc(C(C)NCCCNc2ccncc2)cc1
InChIInChI=1S/C23H27N3O/c1-18(25-14-5-15-26-21-12-16-24-17-13-21)19-8-10-20(11-9-19)22-6-3-4-7-23(22)27-2/h3-4,6-13,16-18,25H,5,14-15H2,1-2H3,(H,24,26)
InChIKeyKYADFDCMJYGOFU-UHFFFAOYSA-N
XLogP4.91
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 167845992
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine (CID 166385022) is N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine is COc1ccccc1-c1ccc(C(C)NCCCNc2ccncc2)cc1.
What is the InChIKey of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine?
The InChIKey is KYADFDCMJYGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18(25-14-5-15-26-21-12-16-24-17-13-21)19-8-10-20(11-9-19)22-6-3-4-7-23(22)27-2/h3-4,6-13,16-18,25H,5,14-15H2,1-2H3,(H,24,26).
What are the key properties of N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine?
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine has a molecular weight of 361.49 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 166385022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).