4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine

C11H16N2O — CID 62824000

IUPAC4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C11H16N2O/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-4,9,13H,5-8,12H2
InChIKeyWKYRRIVPDNXZFO-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.72
Rot. Bonds3

About 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine

4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine (PubChem CID 62824000) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
PubChem CID62824000
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCC2CCOC2)cc1
InChIInChI=1S/C11H16N2O/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-4,9,13H,5-8,12H2
InChIKeyWKYRRIVPDNXZFO-UHFFFAOYSA-N
XLogP1.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
CID 43747336
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
2,6-difluoro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62823821
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352
4-(1H-imidazol-5-yl)-N-(oxolan-3-ylmethyl)aniline
CID 43722486
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
N-(oxolan-3-ylmethyl)-4-(tetrazol-1-yl)aniline
CID 43201828
2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine
CID 62822753

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine (CID 62824000) is 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine is Nc1ccc(NCC2CCOC2)cc1.
What is the InChIKey of 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is WKYRRIVPDNXZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-4,9,13H,5-8,12H2.
What are the key properties of 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine?
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 192.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 62824000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).