1-(3-chloro-5-ethylphenyl)ethanamine

C10H14ClN — CID 84659367

IUPAC1-(3-chloro-5-ethylphenyl)ethanamine
SMILESCCc1cc(Cl)cc(C(C)N)c1
InChIInChI=1S/C10H14ClN/c1-3-8-4-9(7(2)12)6-10(11)5-8/h4-7H,3,12H2,1-2H3
InChIKeyPYWANPWNYDVZOK-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.92
Rot. Bonds2

About 1-(3-chloro-5-ethylphenyl)ethanamine

1-(3-chloro-5-ethylphenyl)ethanamine (PubChem CID 84659367) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 1-(3-chloro-5-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-ethylphenyl)ethanamine
PubChem CID84659367
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name1-(3-chloro-5-ethylphenyl)ethanamine
SMILESCCc1cc(Cl)cc(C(C)N)c1
InChIInChI=1S/C10H14ClN/c1-3-8-4-9(7(2)12)6-10(11)5-8/h4-7H,3,12H2,1-2H3
InChIKeyPYWANPWNYDVZOK-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-[3-(4-ethylphenyl)phenyl]ethanamine
CID 55134062
1-(3-propylphenyl)ethanamine
CID 116543909
1-(3-chloro-5-propan-2-ylphenyl)propan-2-ol
CID 117303457
1-(3-chloro-5-propan-2-ylphenyl)-N-methylmethanamine
CID 84774711
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
bis(3-ethyl-5-methylphenyl)methanamine
CID 141070007
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-5-ethylphenyl)ethanamine (CID 84659367) is 1-(3-chloro-5-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-5-ethylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-5-ethylphenyl)ethanamine is CCc1cc(Cl)cc(C(C)N)c1.
What is the InChIKey of 1-(3-chloro-5-ethylphenyl)ethanamine?
The InChIKey is PYWANPWNYDVZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8-4-9(7(2)12)6-10(11)5-8/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethylphenyl)ethanamine?
1-(3-chloro-5-ethylphenyl)ethanamine has a molecular weight of 183.68 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethylphenyl)ethanamine is sourced from PubChem (CID 84659367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).