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

C11H13Cl2N — CID 81372498

IUPAC2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C11H13Cl2N/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
InChIKeyCFJPHVCOBVSVGB-SECBINFHSA-N
MW230.14 g/mol
LogP3.74
Rot. Bonds4

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

2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine (PubChem CID 81372498) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
PubChem CID81372498
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine
SMILESC=C(Cl)CN[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C11H13Cl2N/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
InChIKeyCFJPHVCOBVSVGB-SECBINFHSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
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
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
CID 115574935
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 28715339
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8599451
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-methyl-N-propan-2-ylacetamide
CID 81372685
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine (CID 81372498) is 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine is C=C(Cl)CN[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine?
The InChIKey is CFJPHVCOBVSVGB-SECBINFHSA-N. The full InChI is InChI=1S/C11H13Cl2N/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-chlorophenyl)ethyl]prop-2-en-1-amine?
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]prop-2-en-1-amine has a molecular weight of 230.14 g/mol, XLogP of 3.74, 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-chlorophenyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 81372498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).