3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol

C24H27NO3 — CID 67427814

IUPAC3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
SMILESCOc1ccccc1-c1cccc(CNCCCO)c1-c1ccccc1OC
InChIInChI=1S/C24H27NO3/c1-27-22-13-5-3-10-19(22)20-12-7-9-18(17-25-15-8-16-26)24(20)21-11-4-6-14-23(21)28-2/h3-7,9-14,25-26H,8,15-17H2,1-2H3
InChIKeyUGUGZTCSURLIGI-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.51
Rot. Bonds9

About 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol

3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol (PubChem CID 67427814) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
PubChem CID67427814
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
SMILESCOc1ccccc1-c1cccc(CNCCCO)c1-c1ccccc1OC
InChIInChI=1S/C24H27NO3/c1-27-22-13-5-3-10-19(22)20-12-7-9-18(17-25-15-8-16-26)24(20)21-11-4-6-14-23(21)28-2/h3-7,9-14,25-26H,8,15-17H2,1-2H3
InChIKeyUGUGZTCSURLIGI-UHFFFAOYSA-N
XLogP4.51
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258

Frequently Asked Questions

What is the IUPAC name of 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol (CID 67427814) is 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol is COc1ccccc1-c1cccc(CNCCCO)c1-c1ccccc1OC.
What is the InChIKey of 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol?
The InChIKey is UGUGZTCSURLIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-27-22-13-5-3-10-19(22)20-12-7-9-18(17-25-15-8-16-26)24(20)21-11-4-6-14-23(21)28-2/h3-7,9-14,25-26H,8,15-17H2,1-2H3.
What are the key properties of 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol?
3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol has a molecular weight of 377.48 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 67427814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).