4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine

C14H22N2O — CID 63826013

IUPAC4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCOC2CCCC2)ccc1N
InChIInChI=1S/C14H22N2O/c1-11-10-12(6-7-14(11)15)16-8-9-17-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9,15H2,1H3
InChIKeyRPWKZJQSUMFHHX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds5

About 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine

4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine (PubChem CID 63826013) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
PubChem CID63826013
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCOC2CCCC2)ccc1N
InChIInChI=1S/C14H22N2O/c1-11-10-12(6-7-14(11)15)16-8-9-17-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9,15H2,1H3
InChIKeyRPWKZJQSUMFHHX-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 63314722
2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 63825845
4-N-[2-[2-(4-amino-3-methylanilino)ethylamino]ethyl]-2-methylbenzene-1,4-diamine
CID 69450838
4-(2-cyclopentyloxyethylamino)-2-fluorobenzenecarbothioamide
CID 115368354
2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine (CID 63826013) is 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine is Cc1cc(NCCOC2CCCC2)ccc1N.
What is the InChIKey of 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine?
The InChIKey is RPWKZJQSUMFHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-10-12(6-7-14(11)15)16-8-9-17-13-4-2-3-5-13/h6-7,10,13,16H,2-5,8-9,15H2,1H3.
What are the key properties of 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine?
4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentyloxyethyl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 63826013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).