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

C19H21NO — CID 43724272

IUPACN-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc(C(NC2CCOc3ccccc32)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-2-6-14(7-3-1)19(15-10-11-15)20-17-12-13-21-18-9-5-4-8-16(17)18/h1-9,15,17,19-20H,10-13H2
InChIKeyXBYNBLMZJZDAQD-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.25
Rot. Bonds4

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

N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43724272) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43724272
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc(C(NC2CCOc3ccccc32)C2CC2)cc1
InChIInChI=1S/C19H21NO/c1-2-6-14(7-3-1)19(15-10-11-15)20-17-12-13-21-18-9-5-4-8-16(17)18/h1-9,15,17,19-20H,10-13H2
InChIKeyXBYNBLMZJZDAQD-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
CID 102402072
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81364817
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
(2S)-2-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropan-1-ol
CID 102613735

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43724272) is N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is c1ccc(C(NC2CCOc3ccccc32)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XBYNBLMZJZDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-2-6-14(7-3-1)19(15-10-11-15)20-17-12-13-21-18-9-5-4-8-16(17)18/h1-9,15,17,19-20H,10-13H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 279.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43724272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).