2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde

C18H22N2O4 — CID 18371355

IUPAC2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(-c2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C18H22N2O4/c1-24-15-4-2-13(12-23)16(11-15)17-10-14(19)3-5-18(17)20(6-8-21)7-9-22/h2-5,10-12,21-22H,6-9,19H2,1H3
InChIKeyUONCIEBASBXCNC-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.55
Rot. Bonds8

About 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde

2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde (PubChem CID 18371355) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde
PubChem CID18371355
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(-c2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C18H22N2O4/c1-24-15-4-2-13(12-23)16(11-15)17-10-14(19)3-5-18(17)20(6-8-21)7-9-22/h2-5,10-12,21-22H,6-9,19H2,1H3
InChIKeyUONCIEBASBXCNC-UHFFFAOYSA-N
XLogP1.55
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
CID 18371877
2-[2-amino-5-[bis(2-methoxyethyl)amino]phenyl]-4-methoxybenzaldehyde
CID 18371411
2-[4-amino-N-(2-hydroxyethyl)-2-(4-methylthiophen-2-yl)anilino]ethanol
CID 18371662
2-[4-amino-2-(4-amino-3,5-dimethylfuran-2-yl)-N-(2-hydroxyethyl)anilino]ethanol
CID 18798766
2-[4-amino-N-(2-hydroxyethyl)-2-(2-nitrophenyl)anilino]ethanol
CID 18371610
2-[4-amino-2-[2-(aminomethyl)furan-3-yl]-N-(2-hydroxyethyl)anilino]ethanol
CID 23287186
2-[4-amino-2-[4-(aminomethyl)thiophen-3-yl]-N-(2-hydroxyethyl)anilino]ethanol
CID 23286932
2-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
2-(2-acetylphenyl)-4-methoxybenzaldehyde
CID 42645678
4-amino-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzaldehyde;ethane
CID 170585701
5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
CID 61235629
2-(4-aminophenyl)-4-methoxy-N,N-dimethylaniline
CID 67533638

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
The IUPAC name of 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde (CID 18371355) is 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde is COc1ccc(C=O)c(-c2cc(N)ccc2N(CCO)CCO)c1.
What is the InChIKey of 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
The InChIKey is UONCIEBASBXCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-15-4-2-13(12-23)16(11-15)17-10-14(19)3-5-18(17)20(6-8-21)7-9-22/h2-5,10-12,21-22H,6-9,19H2,1H3.
What are the key properties of 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde?
2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde has a molecular weight of 330.38 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-[bis(2-hydroxyethyl)amino]phenyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 18371355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).