N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline

C21H23N3O — CID 166216140

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
SMILESCc1ncn(-c2ccc(NCC3CCOc4ccccc43)cc2)c1C
InChIInChI=1S/C21H23N3O/c1-15-16(2)24(14-23-15)19-9-7-18(8-10-19)22-13-17-11-12-25-21-6-4-3-5-20(17)21/h3-10,14,17,22H,11-13H2,1-2H3
InChIKeyAKDXKTZWMJFWCO-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.47
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline (PubChem CID 166216140) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
PubChem CID166216140
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
SMILESCc1ncn(-c2ccc(NCC3CCOc4ccccc43)cc2)c1C
InChIInChI=1S/C21H23N3O/c1-15-16(2)24(14-23-15)19-9-7-18(8-10-19)22-13-17-11-12-25-21-6-4-3-5-20(17)21/h3-10,14,17,22H,11-13H2,1-2H3
InChIKeyAKDXKTZWMJFWCO-UHFFFAOYSA-N
XLogP4.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
CID 104768444
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293413
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pentan-2-amine
CID 113451444
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115718431
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline (CID 166216140) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline is Cc1ncn(-c2ccc(NCC3CCOc4ccccc43)cc2)c1C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline?
The InChIKey is AKDXKTZWMJFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-16(2)24(14-23-15)19-9-7-18(8-10-19)22-13-17-11-12-25-21-6-4-3-5-20(17)21/h3-10,14,17,22H,11-13H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline has a molecular weight of 333.44 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline is sourced from PubChem (CID 166216140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).