(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine

C14H23BrN2O — CID 114069423

IUPAC(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine
SMILESCCN(CC)CCOc1ccc([C@H](C)N)c(Br)c1
InChIInChI=1S/C14H23BrN2O/c1-4-17(5-2)8-9-18-12-6-7-13(11(3)16)14(15)10-12/h6-7,10-11H,4-5,8-9,16H2,1-3H3/t11-/m0/s1
InChIKeyVLNFRIOELIMPCW-NSHDSACASA-N
MW315.25 g/mol
LogP3.19
Rot. Bonds7

About (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine

(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine (PubChem CID 114069423) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine
PubChem CID114069423
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine
SMILESCCN(CC)CCOc1ccc([C@H](C)N)c(Br)c1
InChIInChI=1S/C14H23BrN2O/c1-4-17(5-2)8-9-18-12-6-7-13(11(3)16)14(15)10-12/h6-7,10-11H,4-5,8-9,16H2,1-3H3/t11-/m0/s1
InChIKeyVLNFRIOELIMPCW-NSHDSACASA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
1-[2-[2-(diethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 43505039
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
(1R)-1-[2-bromo-4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
CID 114069400
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
CID 66822143
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-N-ethylethanamine
CID 82000221
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
CID 150907151
2-[2-(4-bromophenoxy)ethoxy]-N,N-diethylethanamine
CID 2246319

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine (CID 114069423) is (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine is CCN(CC)CCOc1ccc([C@H](C)N)c(Br)c1.
What is the InChIKey of (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine?
The InChIKey is VLNFRIOELIMPCW-NSHDSACASA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-17(5-2)8-9-18-12-6-7-13(11(3)16)14(15)10-12/h6-7,10-11H,4-5,8-9,16H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine?
(1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine has a molecular weight of 315.25 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 114069423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).