2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine

C11H13BrClN — CID 81378524

IUPAC2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C11H13BrClN/c1-8(12)7-14-9(2)10-5-3-4-6-11(10)13/h3-6,9,14H,1,7H2,2H3/t9-/m0/s1
InChIKeyQRIQYEMQQLLLQK-VIFPVBQESA-N
MW274.59 g/mol
LogP3.90
Rot. Bonds4

About 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine

2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 81378524) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
PubChem CID81378524
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CN[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C11H13BrClN/c1-8(12)7-14-9(2)10-5-3-4-6-11(10)13/h3-6,9,14H,1,7H2,2H3/t9-/m0/s1
InChIKeyQRIQYEMQQLLLQK-VIFPVBQESA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 60694536
2-chloro-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81379340
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]prop-2-enoic acid
CID 103260158
(E)-3-chloro-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437948
(E)-3-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 106437607
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
N-[1-(2-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103605352
N-carbamoyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 81377573
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine (CID 81378524) is 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine is C=C(Br)CN[C@@H](C)c1ccccc1Cl.
What is the InChIKey of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is QRIQYEMQQLLLQK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrClN/c1-8(12)7-14-9(2)10-5-3-4-6-11(10)13/h3-6,9,14H,1,7H2,2H3/t9-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine?
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 274.59 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 81378524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).