1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol

C15H26N2O — CID 43273373

IUPAC1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
SMILESCCN(CC(C)C)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(10-12(2)3)11-15(18)14-7-5-13(9-16)6-8-14/h5-8,12,15,18H,4,9-11,16H2,1-3H3
InChIKeyQDNBTNUFQRRQOR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.16
Rot. Bonds7

About 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol

1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol (PubChem CID 43273373) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
PubChem CID43273373
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol
SMILESCCN(CC(C)C)CC(O)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(10-12(2)3)11-15(18)14-7-5-13(9-16)6-8-14/h5-8,12,15,18H,4,9-11,16H2,1-3H3
InChIKeyQDNBTNUFQRRQOR-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
CID 117318753
2-[bis(2-methylpropyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60969080
N'-ethyl-N'-(2-methylpropyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43273668
2-[bis(2-methylpropyl)amino]-1-pyridin-4-ylethanol
CID 82216500
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol (CID 43273373) is 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol is CCN(CC(C)C)CC(O)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol?
The InChIKey is QDNBTNUFQRRQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(10-12(2)3)11-15(18)14-7-5-13(9-16)6-8-14/h5-8,12,15,18H,4,9-11,16H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol?
1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 43273373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).