(5-chloro-2-ethenylphenyl)methanamine

C9H10ClN — CID 107430199

IUPAC(5-chloro-2-ethenylphenyl)methanamine
SMILESC=Cc1ccc(Cl)cc1CN
InChIInChI=1S/C9H10ClN/c1-2-7-3-4-9(10)5-8(7)6-11/h2-5H,1,6,11H2
InChIKeyOQPRKHGAQDQKMU-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.44
Rot. Bonds2

About (5-chloro-2-ethenylphenyl)methanamine

(5-chloro-2-ethenylphenyl)methanamine (PubChem CID 107430199) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is (5-chloro-2-ethenylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-ethenylphenyl)methanamine
PubChem CID107430199
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name(5-chloro-2-ethenylphenyl)methanamine
SMILESC=Cc1ccc(Cl)cc1CN
InChIInChI=1S/C9H10ClN/c1-2-7-3-4-9(10)5-8(7)6-11/h2-5H,1,6,11H2
InChIKeyOQPRKHGAQDQKMU-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-ethenyl-5-fluorophenyl)methanamine
CID 59132022
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
4-chloro-2-ethenyl-1-ethylbenzene
CID 118269080
(5-chloro-2-iodophenyl)methanamine;hydrochloride
CID 122156655
2-(3-chloro-4-ethenylphenyl)ethanamine
CID 130050942
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
(2R)-1-[2-(aminomethyl)-5-chlorophenyl]propan-2-ol
CID 151263607
2-[2-[(5-chloro-2-ethenylphenyl)methoxy]phenyl]acetic acid
CID 121347497
(5-ethenyl-2-fluorophenyl)methanamine
CID 107430288
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 19065069
1-chloro-4-[(2-ethenylphenyl)methyl]benzene
CID 21218414

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-ethenylphenyl)methanamine?
The IUPAC name of (5-chloro-2-ethenylphenyl)methanamine (CID 107430199) is (5-chloro-2-ethenylphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-ethenylphenyl)methanamine?
The canonical SMILES for (5-chloro-2-ethenylphenyl)methanamine is C=Cc1ccc(Cl)cc1CN.
What is the InChIKey of (5-chloro-2-ethenylphenyl)methanamine?
The InChIKey is OQPRKHGAQDQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-2-7-3-4-9(10)5-8(7)6-11/h2-5H,1,6,11H2.
What are the key properties of (5-chloro-2-ethenylphenyl)methanamine?
(5-chloro-2-ethenylphenyl)methanamine has a molecular weight of 167.64 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-ethenylphenyl)methanamine is sourced from PubChem (CID 107430199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).