2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine

C11H13ClFN — CID 81365572

IUPAC2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C11H13ClFN/c1-8(12)7-14-9(2)10-4-3-5-11(13)6-10/h3-6,9,14H,1,7H2,2H3/t9-/m1/s1
InChIKeyQPXWOGGTNKNFTQ-SECBINFHSA-N
MW213.68 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine

2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 81365572) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
PubChem CID81365572
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C11H13ClFN/c1-8(12)7-14-9(2)10-4-3-5-11(13)6-10/h3-6,9,14H,1,7H2,2H3/t9-/m1/s1
InChIKeyQPXWOGGTNKNFTQ-SECBINFHSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.23
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
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
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-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
2-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 115891014
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 115575005
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine (CID 81365572) is 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine is C=C(Cl)CN[C@H](C)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is QPXWOGGTNKNFTQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-8(12)7-14-9(2)10-4-3-5-11(13)6-10/h3-6,9,14H,1,7H2,2H3/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine?
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 81365572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).