[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine

C17H19NO2 — CID 104768013

IUPAC[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H19NO2/c18-11-13-5-7-15(8-6-13)20-12-14-9-10-19-17-4-2-1-3-16(14)17/h1-8,14H,9-12,18H2
InChIKeySCUXZHQADPWNET-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.09
Rot. Bonds4

About [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine

[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine (PubChem CID 104768013) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
PubChem CID104768013
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2CCOc3ccccc32)cc1
InChIInChI=1S/C17H19NO2/c18-11-13-5-7-15(8-6-13)20-12-14-9-10-19-17-4-2-1-3-16(14)17/h1-8,14H,9-12,18H2
InChIKeySCUXZHQADPWNET-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(chloromethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768773
[4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79227118
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
2-[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]ethanamine
CID 104770648
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037
4-(3,4-dihydro-2H-chromen-4-ylmethoxy)benzoic acid
CID 104768077
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779
[5-(3,4-dihydro-2H-chromen-4-ylmethoxy)-2-pyridinyl]methanol
CID 104768743
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine (CID 104768013) is [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine is NCc1ccc(OCC2CCOc3ccccc32)cc1.
What is the InChIKey of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine?
The InChIKey is SCUXZHQADPWNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c18-11-13-5-7-15(8-6-13)20-12-14-9-10-19-17-4-2-1-3-16(14)17/h1-8,14H,9-12,18H2.
What are the key properties of [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine?
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine has a molecular weight of 269.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 104768013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).