2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde

C24H26N2O2 — CID 144778103

IUPAC2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde
SMILESCCNc1cc(COc2ccccc2CC=O)cc(-c2cccc(CN)c2)c1
InChIInChI=1S/C24H26N2O2/c1-2-26-23-14-19(17-28-24-9-4-3-7-20(24)10-11-27)13-22(15-23)21-8-5-6-18(12-21)16-25/h3-9,11-15,26H,2,10,16-17,25H2,1H3
InChIKeyDHEVEIHXTNYTGU-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.56
Rot. Bonds9

About 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde

2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde (PubChem CID 144778103) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde
PubChem CID144778103
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde
SMILESCCNc1cc(COc2ccccc2CC=O)cc(-c2cccc(CN)c2)c1
InChIInChI=1S/C24H26N2O2/c1-2-26-23-14-19(17-28-24-9-4-3-7-20(24)10-11-27)13-22(15-23)21-8-5-6-18(12-21)16-25/h3-9,11-15,26H,2,10,16-17,25H2,1H3
InChIKeyDHEVEIHXTNYTGU-UHFFFAOYSA-N
XLogP4.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-[3-(aminomethyl)-2-fluorophenyl]-5-(2-fluoroethylamino)phenyl]methoxy]phenyl]acetaldehyde
CID 144778200
2-[2-[[3-[3-(aminomethyl)phenyl]-5-(propan-2-ylamino)phenyl]methoxy]phenyl]acetic acid
CID 144778291
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
2-[2-[[3-[3-(aminomethyl)-2-fluorophenyl]-5-(cyclopentylmethylamino)phenyl]methoxy]phenyl]acetaldehyde
CID 144778227
[3-[3-(3-azabicyclo[3.2.1]octan-3-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine
CID 172524604
[3-[3-(2-azaspiro[4.4]nonan-2-yl)-5-[(2-ethylphenoxy)methyl]phenyl]phenyl]methanamine
CID 172524370
2-[2-[(4-tert-butylphenyl)methoxy]phenyl]acetaldehyde;ethane
CID 144777042
methyl 2-[2-[[7-[3-(aminomethyl)phenyl]-2-propyl-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 153350719
2-[2-[[3-[3-(aminomethyl)phenyl]-5-(2-azaspiro[3.5]nonan-2-yl)phenyl]methoxy]phenyl]acetic acid
CID 172524455
2-[2-[[3-[3-(1-amino-2-fluoroethyl)-2-fluorophenyl]-5-(methoxymethyl)phenyl]methoxy]phenyl]acetaldehyde;methanol
CID 144778141
2-[2-(3-ethylphenyl)phenyl]acetaldehyde
CID 87253918
ethane;methyl 2-[2-[[4-[3-(aminomethyl)phenyl]-2-chloro-1-benzothiophen-6-yl]methoxy]phenyl]acetate
CID 153350205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde?
The IUPAC name of 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde (CID 144778103) is 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde is CCNc1cc(COc2ccccc2CC=O)cc(-c2cccc(CN)c2)c1.
What is the InChIKey of 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde?
The InChIKey is DHEVEIHXTNYTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-26-23-14-19(17-28-24-9-4-3-7-20(24)10-11-27)13-22(15-23)21-8-5-6-18(12-21)16-25/h3-9,11-15,26H,2,10,16-17,25H2,1H3.
What are the key properties of 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde?
2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde has a molecular weight of 374.48 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[3-(aminomethyl)phenyl]-5-(ethylamino)phenyl]methoxy]phenyl]acetaldehyde is sourced from PubChem (CID 144778103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).