2-chloro-N-ethyl-4-(2-methylpropoxy)aniline

C12H18ClNO — CID 82551741

IUPAC2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
SMILESCCNc1ccc(OCC(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-14-12-6-5-10(7-11(12)13)15-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyZJZYPHIDQFDWDE-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.81
Rot. Bonds5

About 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline

2-chloro-N-ethyl-4-(2-methylpropoxy)aniline (PubChem CID 82551741) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
PubChem CID82551741
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
SMILESCCNc1ccc(OCC(C)C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-14-12-6-5-10(7-11(12)13)15-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3
InChIKeyZJZYPHIDQFDWDE-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
CID 82552173
5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline
CID 82265223
2-chloro-4-(2-methylpropoxy)benzaldehyde
CID 52982918
2,4,5-trichloro-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 54797603
N-(2,4-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 774907
N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
CID 54816614
2,4-dichloro-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 54795837
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
1-(3,4-dichlorophenoxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 82715506
1-(2-chloro-4-methylanilino)-3-(3-methylphenoxy)propan-2-ol
CID 60900392
(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide
CID 70685929
N-(2-chloro-4-iodophenyl)-3-(2-methylpropoxy)benzamide
CID 1323778

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline?
The IUPAC name of 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline (CID 82551741) is 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline.
What is the SMILES notation for 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline?
The canonical SMILES for 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline is CCNc1ccc(OCC(C)C)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline?
The InChIKey is ZJZYPHIDQFDWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-14-12-6-5-10(7-11(12)13)15-8-9(2)3/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline?
2-chloro-N-ethyl-4-(2-methylpropoxy)aniline has a molecular weight of 227.73 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-(2-methylpropoxy)aniline is sourced from PubChem (CID 82551741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).