4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline

C14H22ClNO — CID 103285783

IUPAC4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline
SMILESCCCC(C)COCCNc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-4-12(2)11-17-10-9-16-14-7-5-13(15)6-8-14/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyOYZRAEXADDRVNU-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.20
Rot. Bonds8

About 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline

4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline (PubChem CID 103285783) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline
PubChem CID103285783
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline
SMILESCCCC(C)COCCNc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-3-4-12(2)11-17-10-9-16-14-7-5-13(15)6-8-14/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyOYZRAEXADDRVNU-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.20
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

4-chloro-N-(3-methylpentyl)aniline
CID 173121721
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
1-N-[2-[3-[2-(4-anilinoanilino)ethoxy]-2-methylpropoxy]ethyl]-4-N-phenylbenzene-1,4-diamine
CID 126713469
4-chloro-N-[2-(3,3-dimethylbutoxy)ethyl]aniline
CID 66226649
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N-[2-(2-methylpentoxy)ethyl]butan-1-amine
CID 103285806
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
N-(4-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62553684
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
N-[2-(2-methylpentoxy)ethyl]pentan-3-amine
CID 103285771
2-(2-methylpentoxy)ethanamine
CID 62343431
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline (CID 103285783) is 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline is CCCC(C)COCCNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline?
The InChIKey is OYZRAEXADDRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-3-4-12(2)11-17-10-9-16-14-7-5-13(15)6-8-14/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline?
4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline has a molecular weight of 255.79 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methylpentoxy)ethyl]aniline is sourced from PubChem (CID 103285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).