2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline

C24H28N2O — CID 138738161

IUPAC2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
SMILESCNCCC(Oc1ccccc1NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-25-18-17-23(21-12-6-3-7-13-21)27-24-15-9-8-14-22(24)26-19-16-20-10-4-2-5-11-20/h2-15,23,25-26H,16-19H2,1H3
InChIKeyHESHYQHMHRLKRR-UHFFFAOYSA-N
MW360.50 g/mol
LogP5.07
Rot. Bonds10

About 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline

2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline (PubChem CID 138738161) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
PubChem CID138738161
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
SMILESCNCCC(Oc1ccccc1NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-25-18-17-23(21-12-6-3-7-13-21)27-24-15-9-8-14-22(24)26-19-16-20-10-4-2-5-11-20/h2-15,23,25-26H,16-19H2,1H3
InChIKeyHESHYQHMHRLKRR-UHFFFAOYSA-N
XLogP5.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
CID 138738122
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
4-[4-[3-(methylamino)-1-phenylpropoxy]phenyl]butan-1-ol
CID 90229708
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
3-[1-[2-[2-[3-(methylamino)-1-phenylpropoxy]anilino]ethyl]piperidin-4-yl]phenol
CID 146308929
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline?
The IUPAC name of 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline (CID 138738161) is 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline.
What is the SMILES notation for 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline?
The canonical SMILES for 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline is CNCCC(Oc1ccccc1NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline?
The InChIKey is HESHYQHMHRLKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-25-18-17-23(21-12-6-3-7-13-21)27-24-15-9-8-14-22(24)26-19-16-20-10-4-2-5-11-20/h2-15,23,25-26H,16-19H2,1H3.
What are the key properties of 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline?
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline has a molecular weight of 360.50 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline is sourced from PubChem (CID 138738161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).