N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline

C22H21NO — CID 167208490

IUPACN-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccc2c(c1)oc1ccccc12)c1ccccc1
InChIInChI=1S/C22H21NO/c1-16(2)23(18-8-4-3-5-9-18)15-17-12-13-20-19-10-6-7-11-21(19)24-22(20)14-17/h3-14,16H,15H2,1-2H3
InChIKeyBEJYMWUXEBKRMS-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.00
Rot. Bonds4

About N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline

N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline (PubChem CID 167208490) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline
PubChem CID167208490
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccc2c(c1)oc1ccccc12)c1ccccc1
InChIInChI=1S/C22H21NO/c1-16(2)23(18-8-4-3-5-9-18)15-17-12-13-20-19-10-6-7-11-21(19)24-22(20)14-17/h3-14,16H,15H2,1-2H3
InChIKeyBEJYMWUXEBKRMS-UHFFFAOYSA-N
XLogP6.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyldibenzofuran
CID 58510747
N-phenyl-N-[4-[1-[4-(N-phenylanilino)phenyl]ethyl]phenyl]dibenzofuran-3-amine
CID 168810641
1-(4-dibenzofuran-3-ylbutan-2-yl)-1-hydroxyurea
CID 21293770
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
1-(dibenzofuran-3-ylmethyl)-2-methylhydrazine;hydrochloride
CID 159122805
2-(2-methylpropyl)dibenzofuran
CID 59877560
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
N-iodo-N-methyldibenzofuran-3-amine
CID 155456331
7-(ethoxymethyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 170228909
N-methyl-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 155041103

Frequently Asked Questions

What is the IUPAC name of N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline?
The IUPAC name of N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline (CID 167208490) is N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline is CC(C)N(Cc1ccc2c(c1)oc1ccccc12)c1ccccc1.
What is the InChIKey of N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline?
The InChIKey is BEJYMWUXEBKRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-16(2)23(18-8-4-3-5-9-18)15-17-12-13-20-19-10-6-7-11-21(19)24-22(20)14-17/h3-14,16H,15H2,1-2H3.
What are the key properties of N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline?
N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline has a molecular weight of 315.42 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzofuran-3-ylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 167208490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).