4-chloro-N-(2-propan-2-yloxyethyl)aniline

C11H16ClNO — CID 60678961

IUPAC4-chloro-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeySRIHHEADDNZDLL-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.18
Rot. Bonds5

About 4-chloro-N-(2-propan-2-yloxyethyl)aniline

4-chloro-N-(2-propan-2-yloxyethyl)aniline (PubChem CID 60678961) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-N-(2-propan-2-yloxyethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-propan-2-yloxyethyl)aniline
PubChem CID60678961
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-chloro-N-(2-propan-2-yloxyethyl)aniline
SMILESCC(C)OCCNc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeySRIHHEADDNZDLL-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.18
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

N-(4-chlorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81067873
4-iodo-N-(2-propan-2-yloxyethyl)aniline
CID 60679190
5-chloro-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 60680287
2-(4-chloroanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 39385075
4-ethylsulfonyl-N-(2-propan-2-yloxyethyl)aniline
CID 113250557
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386
4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline
CID 103285783
3-bromo-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 63334301
5-chloro-N-(2-propan-2-yloxyethyl)-1H-pyrrol-3-amine
CID 175343025
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-propan-2-yloxyethyl)aniline?
The IUPAC name of 4-chloro-N-(2-propan-2-yloxyethyl)aniline (CID 60678961) is 4-chloro-N-(2-propan-2-yloxyethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-propan-2-yloxyethyl)aniline?
The canonical SMILES for 4-chloro-N-(2-propan-2-yloxyethyl)aniline is CC(C)OCCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-propan-2-yloxyethyl)aniline?
The InChIKey is SRIHHEADDNZDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(2)14-8-7-13-11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 4-chloro-N-(2-propan-2-yloxyethyl)aniline?
4-chloro-N-(2-propan-2-yloxyethyl)aniline has a molecular weight of 213.71 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-propan-2-yloxyethyl)aniline is sourced from PubChem (CID 60678961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).