2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol

C13H20ClNO — CID 62517659

IUPAC2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-3-13(4-2,10-16)15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyFTGHHKXGVJGFPE-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.98
Rot. Bonds6

About 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol

2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol (PubChem CID 62517659) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
PubChem CID62517659
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-3-13(4-2,10-16)15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyFTGHHKXGVJGFPE-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
CID 65022002
2-[(2-bromo-5-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 66160950
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62523478
3-[[(3-chlorophenyl)methylamino]methyl]pentan-3-ol
CID 62059723
2-[3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenoxy]acetonitrile
CID 107865037
2-[(4-bromo-3-fluorophenyl)methylamino]-2-ethylbutan-1-ol
CID 79672182
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
3-[(3-chlorophenyl)methylamino]-3-methylbutanamide
CID 104580168
2-(hydroxymethyl)-2-[(3-propoxyphenyl)methylamino]propane-1,3-diol
CID 107850468
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol (CID 62517659) is 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is FTGHHKXGVJGFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-13(4-2,10-16)15-9-11-6-5-7-12(14)8-11/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol?
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 241.76 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62517659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).