(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine

C11H13BrClN — CID 107900148

IUPAC(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine
SMILESC[C@H](NC/C=C/Cl)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-9(14-7-3-6-13)10-4-2-5-11(12)8-10/h2-6,8-9,14H,7H2,1H3/b6-3+/t9-/m0/s1
InChIKeyDDOORJUCIQXHQY-SWTNXBIASA-N
MW274.59 g/mol
LogP3.85
Rot. Bonds4

About (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine

(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine (PubChem CID 107900148) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine
PubChem CID107900148
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine
SMILESC[C@H](NC/C=C/Cl)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-9(14-7-3-6-13)10-4-2-5-11(12)8-10/h2-6,8-9,14H,7H2,1H3/b6-3+/t9-/m0/s1
InChIKeyDDOORJUCIQXHQY-SWTNXBIASA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-[1-(3-bromophenyl)ethyl]-4-chlorobut-2-en-1-amine
CID 81430984
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]but-2-en-1-amine
CID 107899131
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
(Z)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]-2-ethylbut-2-enoic acid
CID 103257361
(E)-3-chloro-N-[1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 103912541
(2S)-4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-2-ol
CID 96784164
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine?
The IUPAC name of (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine (CID 107900148) is (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine is C[C@H](NC/C=C/Cl)c1cccc(Br)c1.
What is the InChIKey of (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine?
The InChIKey is DDOORJUCIQXHQY-SWTNXBIASA-N. The full InChI is InChI=1S/C11H13BrClN/c1-9(14-7-3-6-13)10-4-2-5-11(12)8-10/h2-6,8-9,14H,7H2,1H3/b6-3+/t9-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine?
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(3-bromophenyl)ethyl]-3-chloroprop-2-en-1-amine is sourced from PubChem (CID 107900148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).