N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine

C20H26N2O2 — CID 45221693

IUPACN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCN(C)CCOc1cccc(CNC2COc3ccccc3C2)c1
InChIInChI=1S/C20H26N2O2/c1-22(2)10-11-23-19-8-5-6-16(12-19)14-21-18-13-17-7-3-4-9-20(17)24-15-18/h3-9,12,18,21H,10-11,13-15H2,1-2H3
InChIKeyWAKOBTKXXBYCRL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.72
Rot. Bonds7

About N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45221693) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID45221693
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCN(C)CCOc1cccc(CNC2COc3ccccc3C2)c1
InChIInChI=1S/C20H26N2O2/c1-22(2)10-11-23-19-8-5-6-16(12-19)14-21-18-13-17-7-3-4-9-20(17)24-15-18/h3-9,12,18,21H,10-11,13-15H2,1-2H3
InChIKeyWAKOBTKXXBYCRL-UHFFFAOYSA-N
XLogP2.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
2-[3-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]-N-methylethanamine
CID 97139052
2-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
CID 103902231
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3,4-dihydro-2H-chromen-3-amine
CID 45239496
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
N-[2-[3-[(cyclopropylamino)methyl]phenoxy]ethyl]-N-methylthiolan-3-amine
CID 62421119
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 29257290
3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine (CID 45221693) is N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine is CN(C)CCOc1cccc(CNC2COc3ccccc3C2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is WAKOBTKXXBYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-22(2)10-11-23-19-8-5-6-16(12-19)14-21-18-13-17-7-3-4-9-20(17)24-15-18/h3-9,12,18,21H,10-11,13-15H2,1-2H3.
What are the key properties of N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine?
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 326.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45221693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).