2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol

C13H21NO — CID 62021239

IUPAC2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
SMILESCCc1ccc(CN(CC)CCO)cc1
InChIInChI=1S/C13H21NO/c1-3-12-5-7-13(8-6-12)11-14(4-2)9-10-15/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyCGXZSGVBALPHPU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds6

About 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol

2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol (PubChem CID 62021239) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
PubChem CID62021239
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
SMILESCCc1ccc(CN(CC)CCO)cc1
InChIInChI=1S/C13H21NO/c1-3-12-5-7-13(8-6-12)11-14(4-2)9-10-15/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyCGXZSGVBALPHPU-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol
CID 110027526
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[(4-bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
CID 82335958
5-[[ethyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzonitrile
CID 103758364
2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
CID 62469740

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol (CID 62021239) is 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol is CCc1ccc(CN(CC)CCO)cc1.
What is the InChIKey of 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol?
The InChIKey is CGXZSGVBALPHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-12-5-7-13(8-6-12)11-14(4-2)9-10-15/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol?
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 62021239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).