(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol

C14H21Br2NO2 — CID 29223205

IUPAC(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol
SMILESCCCOc1c(Br)cc(CN[C@H](CC)CO)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-3-5-19-14-12(15)6-10(7-13(14)16)8-17-11(4-2)9-18/h6-7,11,17-18H,3-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeySRFAWOPYELKCBA-LLVKDONJSA-N
MW395.14 g/mol
LogP3.86
Rot. Bonds8

About (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol

(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol (PubChem CID 29223205) has the molecular formula C14H21Br2NO2 and a molecular weight of 395.14 g/mol. Its IUPAC name is (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol
PubChem CID29223205
Molecular FormulaC14H21Br2NO2
Molecular Weight395.14 g/mol
Exact Mass392.99
IUPAC Name(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol
SMILESCCCOc1c(Br)cc(CN[C@H](CC)CO)cc1Br
InChIInChI=1S/C14H21Br2NO2/c1-3-5-19-14-12(15)6-10(7-13(14)16)8-17-11(4-2)9-18/h6-7,11,17-18H,3-5,8-9H2,1-2H3/t11-/m1/s1
InChIKeySRFAWOPYELKCBA-LLVKDONJSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.14
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 29226823
(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
CID 29223251
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
(2S)-2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol
CID 40726286
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292090
(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
CID 29225195
(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 27236202
(2R)-2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 27236206
2-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 60657425
(2S)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 105026288
(2R)-2-[(3-bromo-4-methylphenyl)methylamino]butan-1-ol
CID 103924355
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 4716038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol (CID 29223205) is (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol is CCCOc1c(Br)cc(CN[C@H](CC)CO)cc1Br.
What is the InChIKey of (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol?
The InChIKey is SRFAWOPYELKCBA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21Br2NO2/c1-3-5-19-14-12(15)6-10(7-13(14)16)8-17-11(4-2)9-18/h6-7,11,17-18H,3-5,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol has a molecular weight of 395.14 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 29223205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).