(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine

C15H24BrNO2 — CID 29228088

IUPAC(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1c(CN[C@H](C)CC)cc(Br)cc1OC
InChIInChI=1S/C15H24BrNO2/c1-5-7-19-15-12(10-17-11(3)6-2)8-13(16)9-14(15)18-4/h8-9,11,17H,5-7,10H2,1-4H3/t11-/m1/s1
InChIKeyYEXWREQVFWVHGY-LLVKDONJSA-N
MW330.27 g/mol
LogP4.13
Rot. Bonds8

About (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine

(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine (PubChem CID 29228088) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
PubChem CID29228088
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine
SMILESCCCOc1c(CN[C@H](C)CC)cc(Br)cc1OC
InChIInChI=1S/C15H24BrNO2/c1-5-7-19-15-12(10-17-11(3)6-2)8-13(16)9-14(15)18-4/h8-9,11,17H,5-7,10H2,1-4H3/t11-/m1/s1
InChIKeyYEXWREQVFWVHGY-LLVKDONJSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 29228094
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
(2R)-N-[(3,5-dibromo-4-propoxyphenyl)methyl]butan-2-amine
CID 29223251
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-thiophen-2-ylmethanamine
CID 29228055
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 29228113
N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526249
(2S)-2-[(5-bromo-3-methoxy-2-propoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 29228172
(2R)-2-[(5-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 51989422
(2S)-N-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51988416
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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine (CID 29228088) is (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine is CCCOc1c(CN[C@H](C)CC)cc(Br)cc1OC.
What is the InChIKey of (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine?
The InChIKey is YEXWREQVFWVHGY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-5-7-19-15-12(10-17-11(3)6-2)8-13(16)9-14(15)18-4/h8-9,11,17H,5-7,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine?
(2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 29228088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).