N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine

C25H29NO2 — CID 166384960

IUPACN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
SMILESCOc1ccccc1-c1ccc(C(C)NCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C25H29NO2/c1-19-9-15-23(16-10-19)28-18-6-17-26-20(2)21-11-13-22(14-12-21)24-7-4-5-8-25(24)27-3/h4-5,7-16,20,26H,6,17-18H2,1-3H3
InChIKeyPAKFRVLQOIULBD-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.79
Rot. Bonds9

About N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine (PubChem CID 166384960) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
PubChem CID166384960
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
SMILESCOc1ccccc1-c1ccc(C(C)NCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C25H29NO2/c1-19-9-15-23(16-10-19)28-18-6-17-26-20(2)21-11-13-22(14-12-21)24-7-4-5-8-25(24)27-3/h4-5,7-16,20,26H,6,17-18H2,1-3H3
InChIKeyPAKFRVLQOIULBD-UHFFFAOYSA-N
XLogP5.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.79
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-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine (CID 166384960) is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine is COc1ccccc1-c1ccc(C(C)NCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine?
The InChIKey is PAKFRVLQOIULBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-19-9-15-23(16-10-19)28-18-6-17-26-20(2)21-11-13-22(14-12-21)24-7-4-5-8-25(24)27-3/h4-5,7-16,20,26H,6,17-18H2,1-3H3.
What are the key properties of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine?
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine has a molecular weight of 375.51 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine is sourced from PubChem (CID 166384960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).