2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol

C14H21BrClNO — CID 106251907

IUPAC2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H21BrClNO/c1-3-14(4-2,10-18)9-17-8-11-5-6-12(15)13(16)7-11/h5-7,17-18H,3-4,8-10H2,1-2H3
InChIKeyCHMQKVDRNLGYBV-UHFFFAOYSA-N
MW334.69 g/mol
LogP3.99
Rot. Bonds7

About 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol

2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251907) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID106251907
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC Name2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H21BrClNO/c1-3-14(4-2,10-18)9-17-8-11-5-6-12(15)13(16)7-11/h5-7,17-18H,3-4,8-10H2,1-2H3
InChIKeyCHMQKVDRNLGYBV-UHFFFAOYSA-N
XLogP3.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-bromo-3-nitrophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845622
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 103581873
2-ethyl-2-[[(4-methylphenyl)methylamino]methyl]butan-1-ol
CID 81411904
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
1-[(4-bromo-3-chlorophenyl)methylamino]pentan-3-ol
CID 103581804
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
3-[(3-bromo-4-chlorophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 83230108
2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106252242
2-[(2-bromo-5-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81418881
2-ethyl-2-[[(2,3,6-trichlorophenyl)methylamino]methyl]butan-1-ol
CID 106252162
2-ethyl-2-[[[4-(methoxymethyl)phenyl]methylamino]methyl]butan-1-ol
CID 103845594

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol (CID 106251907) is 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is CHMQKVDRNLGYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNO/c1-3-14(4-2,10-18)9-17-8-11-5-6-12(15)13(16)7-11/h5-7,17-18H,3-4,8-10H2,1-2H3.
What are the key properties of 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol?
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 334.69 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).