2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol

C17H31N3O2 — CID 84746090

IUPAC2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1ccc(CNCCN(C)C)c(OC)c1
InChIInChI=1S/C17H31N3O2/c1-5-20(10-11-21)14-15-6-7-16(17(12-15)22-4)13-18-8-9-19(2)3/h6-7,12,18,21H,5,8-11,13-14H2,1-4H3
InChIKeyBUSBAZDNYFRKSM-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.16
Rot. Bonds11

About 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol

2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol (PubChem CID 84746090) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
PubChem CID84746090
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1ccc(CNCCN(C)C)c(OC)c1
InChIInChI=1S/C17H31N3O2/c1-5-20(10-11-21)14-15-6-7-16(17(12-15)22-4)13-18-8-9-19(2)3/h6-7,12,18,21H,5,8-11,13-14H2,1-4H3
InChIKeyBUSBAZDNYFRKSM-UHFFFAOYSA-N
XLogP1.16
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746117
N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 155674929
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
2-[4-[[3-(dimethylamino)propylamino]methyl]-N-ethyl-2-methoxyanilino]ethanol
CID 84754460
N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118
N-[[3-methoxy-4-[(2-methoxyethylamino)methyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84746048
N-[[4-(dipropylamino)-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84754259
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 103953654
2-[4-[(dimethylamino)methyl]-3-methoxyphenyl]ethanol
CID 172604005
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol?
The IUPAC name of 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol (CID 84746090) is 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol?
The canonical SMILES for 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol is CCN(CCO)Cc1ccc(CNCCN(C)C)c(OC)c1.
What is the InChIKey of 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol?
The InChIKey is BUSBAZDNYFRKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-5-20(10-11-21)14-15-6-7-16(17(12-15)22-4)13-18-8-9-19(2)3/h6-7,12,18,21H,5,8-11,13-14H2,1-4H3.
What are the key properties of 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol?
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol has a molecular weight of 309.45 g/mol, XLogP of 1.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol is sourced from PubChem (CID 84746090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).