(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine

C13H20BrNO — CID 2182681

IUPAC(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
SMILESCC[C@@H](C)NCCCOc1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-3-11(2)15-9-6-10-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyPHFQKJYHBLEBKI-LLVKDONJSA-N
MW286.21 g/mol
LogP3.61
Rot. Bonds7

About (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine

(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine (PubChem CID 2182681) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
PubChem CID2182681
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
SMILESCC[C@@H](C)NCCCOc1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-3-11(2)15-9-6-10-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3/t11-/m1/s1
InChIKeyPHFQKJYHBLEBKI-LLVKDONJSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 2183255
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
1-(2-bromophenoxy)-3-(butan-2-ylamino)propan-2-ol
CID 4728858
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
3-(2-bromophenoxy)propylhydrazine
CID 94688539
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine?
The IUPAC name of (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine (CID 2182681) is (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine?
The canonical SMILES for (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine is CC[C@@H](C)NCCCOc1ccccc1Br.
What is the InChIKey of (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine?
The InChIKey is PHFQKJYHBLEBKI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-11(2)15-9-6-10-16-13-8-5-4-7-12(13)14/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine?
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine is sourced from PubChem (CID 2182681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).