4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine

C14H22N2O — CID 57243340

IUPAC4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(NCC2CCCO2)ccc1N
InChIInChI=1S/C14H22N2O/c1-2-4-11-9-12(6-7-14(11)15)16-10-13-5-3-8-17-13/h6-7,9,13,16H,2-5,8,10,15H2,1H3
InChIKeyJUQYCOWJWDRKKG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.81
Rot. Bonds5

About 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine

4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine (PubChem CID 57243340) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
PubChem CID57243340
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
SMILESCCCc1cc(NCC2CCCO2)ccc1N
InChIInChI=1S/C14H22N2O/c1-2-4-11-9-12(6-7-14(11)15)16-10-13-5-3-8-17-13/h6-7,9,13,16H,2-5,8,10,15H2,1H3
InChIKeyJUQYCOWJWDRKKG-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115523
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228
2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
CID 55233551
ethyl 2-amino-5-(oxolan-2-ylmethylamino)benzoate
CID 61305308
2-amino-4-(oxolan-2-ylmethylamino)benzoic acid
CID 104500178
1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
3-chloro-4-ethoxy-N-(oxolan-2-ylmethyl)aniline
CID 82835543
6-methoxy-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 43261205
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine (CID 57243340) is 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine is CCCc1cc(NCC2CCCO2)ccc1N.
What is the InChIKey of 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine?
The InChIKey is JUQYCOWJWDRKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-4-11-9-12(6-7-14(11)15)16-10-13-5-3-8-17-13/h6-7,9,13,16H,2-5,8,10,15H2,1H3.
What are the key properties of 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine?
4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine is sourced from PubChem (CID 57243340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).