3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline

C16H17NO2 — CID 104768037

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
SMILESNc1cccc(OCC2CCOc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-7,10,12H,8-9,11,17H2
InChIKeyFUWUVSQJWGLAIL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.21
Rot. Bonds3

About 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline

3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline (PubChem CID 104768037) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
PubChem CID104768037
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
SMILESNc1cccc(OCC2CCOc3ccccc32)c1
InChIInChI=1S/C16H17NO2/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-7,10,12H,8-9,11,17H2
InChIKeyFUWUVSQJWGLAIL-UHFFFAOYSA-N
XLogP3.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
3-amino-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzonitrile
CID 104768058
2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
CID 104770648
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline (CID 104768037) is 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline is Nc1cccc(OCC2CCOc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline?
The InChIKey is FUWUVSQJWGLAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-7,10,12H,8-9,11,17H2.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline?
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline has a molecular weight of 255.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline is sourced from PubChem (CID 104768037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).