2-chloro-1-(4-ethylphenyl)-N-methylethanamine

C11H16ClN — CID 116952559

IUPAC2-chloro-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(CCl)NC)cc1
InChIInChI=1S/C11H16ClN/c1-3-9-4-6-10(7-5-9)11(8-12)13-2/h4-7,11,13H,3,8H2,1-2H3
InChIKeyWZWHOMVGIZCYNF-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-1-(4-ethylphenyl)-N-methylethanamine

2-chloro-1-(4-ethylphenyl)-N-methylethanamine (PubChem CID 116952559) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-chloro-1-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-chloro-1-(4-ethylphenyl)-N-methylethanamine
PubChem CID116952559
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-chloro-1-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(C(CCl)NC)cc1
InChIInChI=1S/C11H16ClN/c1-3-9-4-6-10(7-5-9)11(8-12)13-2/h4-7,11,13H,3,8H2,1-2H3
InChIKeyWZWHOMVGIZCYNF-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
2-chloro-N-methyl-1-pyridin-4-ylethanamine
CID 116952687
1-(4-ethylphenyl)-N-methylhex-4-yn-1-amine
CID 104804645
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950168
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
2-tert-butylsulfonyl-1-(4-ethylphenyl)-N-methylethanamine
CID 64646373
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 2-chloro-1-(4-ethylphenyl)-N-methylethanamine (CID 116952559) is 2-chloro-1-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-chloro-1-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-chloro-1-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(C(CCl)NC)cc1.
What is the InChIKey of 2-chloro-1-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is WZWHOMVGIZCYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-9-4-6-10(7-5-9)11(8-12)13-2/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of 2-chloro-1-(4-ethylphenyl)-N-methylethanamine?
2-chloro-1-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 197.71 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 116952559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).