N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline

C18H21NO2 — CID 115756563

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-20-13-14-5-4-6-16(11-14)19-12-15-9-10-21-18-8-3-2-7-17(15)18/h2-8,11,15,19H,9-10,12-13H2,1H3
InChIKeyXPLBHUXNQKDDHH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline (PubChem CID 115756563) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
PubChem CID115756563
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCC2CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-20-13-14-5-4-6-16(11-14)19-12-15-9-10-21-18-8-3-2-7-17(15)18/h2-8,11,15,19H,9-10,12-13H2,1H3
InChIKeyXPLBHUXNQKDDHH-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
2-tert-butyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133401655
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43672051
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
3-(methoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707110
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline (CID 115756563) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline is COCc1cccc(NCC2CCOc3ccccc32)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline?
The InChIKey is XPLBHUXNQKDDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-13-14-5-4-6-16(11-14)19-12-15-9-10-21-18-8-3-2-7-17(15)18/h2-8,11,15,19H,9-10,12-13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline has a molecular weight of 283.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 115756563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).