2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline

C12H18ClNO — CID 103768047

IUPAC2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCc1ccc(Cl)c(NCCOC(C)C)c1
InChIInChI=1S/C12H18ClNO/c1-9(2)15-7-6-14-12-8-10(3)4-5-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeySELHYMXMUBJJIN-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.49
Rot. Bonds5

About 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline

2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 103768047) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
PubChem CID103768047
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
SMILESCc1ccc(Cl)c(NCCOC(C)C)c1
InChIInChI=1S/C12H18ClNO/c1-9(2)15-7-6-14-12-8-10(3)4-5-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeySELHYMXMUBJJIN-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
2-chloro-5-methyl-4-N-(2-propan-2-yloxyethyl)benzene-1,4-diamine
CID 104758729
2-chloro-N-[2-(2-ethoxyphenoxy)ethyl]-5-methylaniline
CID 107634679
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
N'-(2-chloro-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 130604516
3-chloro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104834865
5-bromo-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 61485193
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 114136517
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline (CID 103768047) is 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline is Cc1ccc(Cl)c(NCCOC(C)C)c1.
What is the InChIKey of 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is SELHYMXMUBJJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)15-7-6-14-12-8-10(3)4-5-11(12)13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline?
2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 227.73 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 103768047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).