4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline

C17H20N2O — CID 170327172

IUPAC4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)C2CCCO2)cc1
InChIInChI=1S/C17H20N2O/c18-14-7-3-12(4-8-14)17(16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16-17H,1-2,11,18-19H2
InChIKeyKKONXTGZSVLETC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.16
Rot. Bonds3

About 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline

4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline (PubChem CID 170327172) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline
PubChem CID170327172
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)C2CCCO2)cc1
InChIInChI=1S/C17H20N2O/c18-14-7-3-12(4-8-14)17(16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16-17H,1-2,11,18-19H2
InChIKeyKKONXTGZSVLETC-UHFFFAOYSA-N
XLogP3.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
CID 61098410
2-[bis(4-fluorophenyl)methyl]oxane;ethenethiol
CID 167480861
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007
4-N-[1-(oxolan-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750412
(E)-3-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]prop-2-enamide
CID 115342870
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
2-[(4-bromophenyl)-chloromethyl]oxolane
CID 61081536
(2S)-2-[(1S)-2-methyl-1-phenylpropyl]oxolane
CID 118371657
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-(4-propan-2-ylphenyl)oxan-3-amine
CID 79365963
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline?
The IUPAC name of 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline (CID 170327172) is 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline?
The canonical SMILES for 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline is Nc1ccc(C(c2ccc(N)cc2)C2CCCO2)cc1.
What is the InChIKey of 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline?
The InChIKey is KKONXTGZSVLETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-14-7-3-12(4-8-14)17(16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16-17H,1-2,11,18-19H2.
What are the key properties of 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline?
4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline has a molecular weight of 268.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline is sourced from PubChem (CID 170327172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).