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

C23H26N2O — CID 138738140

IUPACN-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
SMILESCNCCC(Oc1ccccc1CNc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-24-17-16-23(19-10-4-2-5-11-19)26-22-15-9-8-12-20(22)18-25-21-13-6-3-7-14-21/h2-15,23-25H,16-18H2,1H3
InChIKeyNEAONGRZUIALQV-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.03
Rot. Bonds9

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

N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline (PubChem CID 138738140) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
PubChem CID138738140
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
SMILESCNCCC(Oc1ccccc1CNc1ccccc1)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-24-17-16-23(19-10-4-2-5-11-19)26-22-15-9-8-12-20(22)18-25-21-13-6-3-7-14-21/h2-15,23-25H,16-18H2,1H3
InChIKeyNEAONGRZUIALQV-UHFFFAOYSA-N
XLogP5.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
CID 138738145
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;3-[(2-methoxyphenyl)methoxy]-N-methyl-3-phenylpropan-1-amine
CID 161266462
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
(3S)-3-(2,3-dihydro-1H-inden-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 146397496
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline?
The IUPAC name of N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline (CID 138738140) is N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline?
The canonical SMILES for N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline is CNCCC(Oc1ccccc1CNc1ccccc1)c1ccccc1.
What is the InChIKey of N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline?
The InChIKey is NEAONGRZUIALQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-24-17-16-23(19-10-4-2-5-11-19)26-22-15-9-8-12-20(22)18-25-21-13-6-3-7-14-21/h2-15,23-25H,16-18H2,1H3.
What are the key properties of N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline?
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline has a molecular weight of 346.47 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline is sourced from PubChem (CID 138738140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).