2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol

C14H19Br2NO — CID 107740810

IUPAC2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol
SMILESCCC(CC1CC1)NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H19Br2NO/c1-2-11(5-9-3-4-9)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3
InChIKeyWEMLRDCYKSFGCT-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.59
Rot. Bonds6

About 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol

2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol (PubChem CID 107740810) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol
PubChem CID107740810
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol
SMILESCCC(CC1CC1)NCc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H19Br2NO/c1-2-11(5-9-3-4-9)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3
InChIKeyWEMLRDCYKSFGCT-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
CID 66410514
N-[(5-bromo-2-chlorophenyl)methyl]-1-cyclopropylbutan-2-amine
CID 114076540
1-cyclopropyl-N-[[3-(difluoromethyl)phenyl]methyl]butan-2-amine
CID 113328756
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]pentanenitrile
CID 62646746
2,6-dibromo-4-[(1-methoxypropan-2-ylamino)methyl]phenol
CID 103602773
4-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-2,6-dibromophenol
CID 103602736
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2,6-dibromo-4-[(1,1-dimethoxypropan-2-ylamino)methyl]phenol
CID 107740818
2-bromo-6-methoxy-4-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115671294
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pentan-3-amine
CID 43143888

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol (CID 107740810) is 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol is CCC(CC1CC1)NCc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol?
The InChIKey is WEMLRDCYKSFGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-2-11(5-9-3-4-9)17-8-10-6-12(15)14(18)13(16)7-10/h6-7,9,11,17-18H,2-5,8H2,1H3.
What are the key properties of 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol?
2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol has a molecular weight of 377.12 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(1-cyclopropylbutan-2-ylamino)methyl]phenol is sourced from PubChem (CID 107740810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).