(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine

C14H21Br2NO — CID 29223251

IUPAC(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1c(Br)cc(CN[C@H](C)CC)cc1Br
InChIInChI=1S/C14H21Br2NO/c1-4-6-18-14-12(15)7-11(8-13(14)16)9-17-10(3)5-2/h7-8,10,17H,4-6,9H2,1-3H3/t10-/m1/s1
InChIKeyZZMZGYUTZYSXSI-SNVBAGLBSA-N
MW379.14 g/mol
LogP4.89
Rot. Bonds7

About (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine

(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine (PubChem CID 29223251) has the molecular formula C14H21Br2NO and a molecular weight of 379.14 g/mol. Its IUPAC name is (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
PubChem CID29223251
Molecular FormulaC14H21Br2NO
Molecular Weight379.14 g/mol
Exact Mass377.00
IUPAC Name(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1c(Br)cc(CN[C@H](C)CC)cc1Br
InChIInChI=1S/C14H21Br2NO/c1-4-6-18-14-12(15)7-11(8-13(14)16)9-17-10(3)5-2/h7-8,10,17H,4-6,9H2,1-3H3/t10-/m1/s1
InChIKeyZZMZGYUTZYSXSI-SNVBAGLBSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol
CID 29223205
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-4-methoxybutan-2-amine
CID 62732798
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 104827758
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2S)-N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 27235765
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 104854712
(2S)-2-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 29226823
(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
CID 29228088
(3,5-dibromo-4-propoxyphenyl)methanamine
CID 107741477
(2S)-N-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine
CID 51991371

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine (CID 29223251) is (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine is CCCOc1c(Br)cc(CN[C@H](C)CC)cc1Br.
What is the InChIKey of (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine?
The InChIKey is ZZMZGYUTZYSXSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21Br2NO/c1-4-6-18-14-12(15)7-11(8-13(14)16)9-17-10(3)5-2/h7-8,10,17H,4-6,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine?
(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine has a molecular weight of 379.14 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 29223251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).