N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine

C19H21NO — CID 114746607

IUPACN-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C19H21NO/c1-4-14(13-20-17-9-10-17)12-16(6-1)18-8-2-5-15-7-3-11-21-19(15)18/h1-2,4-6,8,12,17,20H,3,7,9-11,13H2
InChIKeyXAXXRHOKUFGQDW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.93
Rot. Bonds4

About N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine

N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114746607) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
PubChem CID114746607
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(-c2cccc3c2OCCC3)c1
InChIInChI=1S/C19H21NO/c1-4-14(13-20-17-9-10-17)12-16(6-1)18-8-2-5-15-7-3-11-21-19(15)18/h1-2,4-6,8,12,17,20H,3,7,9-11,13H2
InChIKeyXAXXRHOKUFGQDW-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3,4-dihydro-2H-chromen-8-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888229
N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-3-fluorophenyl]methyl]cyclopropanamine
CID 114746570
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine
CID 114746616
1-[3-(3,4-dihydro-2H-chromen-8-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114746624
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine (CID 114746607) is N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(-c2cccc3c2OCCC3)c1.
What is the InChIKey of N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XAXXRHOKUFGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-14(13-20-17-9-10-17)12-16(6-1)18-8-2-5-15-7-3-11-21-19(15)18/h1-2,4-6,8,12,17,20H,3,7,9-11,13H2.
What are the key properties of N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine?
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 279.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114746607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).