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

C11H13BrClN — CID 81382108

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-8(13)7-14-9(2)10-4-3-5-11(12)6-10/h3-6,9,14H,1,7H2,2H3/t9-/m1/s1
InChIKeyHSEPXASNUPRVCQ-SECBINFHSA-N
MW274.59 g/mol
LogP3.85
Rot. Bonds4

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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine (PubChem CID 81382108) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
PubChem CID81382108
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
SMILESC=C(Cl)CN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C11H13BrClN/c1-8(13)7-14-9(2)10-4-3-5-11(12)6-10/h3-6,9,14H,1,7H2,2H3/t9-/m1/s1
InChIKeyHSEPXASNUPRVCQ-SECBINFHSA-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

2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
CID 81372498
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
N-[1-(4-bromo-3-fluorophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891030
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935
ethyl 2-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]prop-2-enoate
CID 103257333
2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
4-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]phenol
CID 81381238
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine (CID 81382108) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine is C=C(Cl)CN[C@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine?
The InChIKey is HSEPXASNUPRVCQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-8(13)7-14-9(2)10-4-3-5-11(12)6-10/h3-6,9,14H,1,7H2,2H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-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 N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine is sourced from PubChem (CID 81382108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).