2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline

C25H28N2O4 — CID 66984484

IUPAC2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1ccc(Oc2ccc(NCC3CCCN3)c(Oc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C25H28N2O4/c1-28-19-5-9-21(10-6-19)30-23-13-14-24(27-17-18-4-3-15-26-18)25(16-23)31-22-11-7-20(29-2)8-12-22/h5-14,16,18,26-27H,3-4,15,17H2,1-2H3
InChIKeyDPZMULVRTYQFKO-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.45
Rot. Bonds9

About 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline

2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 66984484) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID66984484
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOc1ccc(Oc2ccc(NCC3CCCN3)c(Oc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C25H28N2O4/c1-28-19-5-9-21(10-6-19)30-23-13-14-24(27-17-18-4-3-15-26-18)25(16-23)31-22-11-7-20(29-2)8-12-22/h5-14,16,18,26-27H,3-4,15,17H2,1-2H3
InChIKeyDPZMULVRTYQFKO-UHFFFAOYSA-N
XLogP5.45
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
methyl 3-[5-phenyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]phenoxy]benzoate
CID 52935878
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819
4-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974273
3-[5-phenyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]phenoxy]benzonitrile
CID 52935661
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 52939968
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
4-(4-methoxyphenoxy)-2-pyridin-3-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 51353554
2-[4-(diethylaminooxy)phenoxy]-4-(4-methoxyphenoxy)-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 58243063

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline (CID 66984484) is 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline is COc1ccc(Oc2ccc(NCC3CCCN3)c(Oc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is DPZMULVRTYQFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-28-19-5-9-21(10-6-19)30-23-13-14-24(27-17-18-4-3-15-26-18)25(16-23)31-22-11-7-20(29-2)8-12-22/h5-14,16,18,26-27H,3-4,15,17H2,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline?
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 420.51 g/mol, XLogP of 5.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 66984484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).