(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine

C18H21NO2 — CID 104768135

IUPAC(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCC1CCOc2ccccc21
InChIInChI=1S/C18H21NO2/c1-13(19)15-6-2-4-8-17(15)21-12-14-10-11-20-18-9-5-3-7-16(14)18/h2-9,13-14H,10-12,19H2,1H3/t13-,14?/m0/s1
InChIKeyKDRGVPOEXFZVOP-LSLKUGRBSA-N
MW283.37 g/mol
LogP3.65
Rot. Bonds4

About (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine

(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine (PubChem CID 104768135) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
PubChem CID104768135
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1OCC1CCOc2ccccc21
InChIInChI=1S/C18H21NO2/c1-13(19)15-6-2-4-8-17(15)21-12-14-10-11-20-18-9-5-3-7-16(14)18/h2-9,13-14H,10-12,19H2,1H3/t13-,14?/m0/s1
InChIKeyKDRGVPOEXFZVOP-LSLKUGRBSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
(1R)-1-[5-chloro-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218495
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
(1S)-1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]ethanamine
CID 79223193

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine (CID 104768135) is (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1ccccc1OCC1CCOc2ccccc21.
What is the InChIKey of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is KDRGVPOEXFZVOP-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(19)15-6-2-4-8-17(15)21-12-14-10-11-20-18-9-5-3-7-16(14)18/h2-9,13-14H,10-12,19H2,1H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine?
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 104768135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).