1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine

C20H21N3O — CID 119125341

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1ccc(C(NCc2ccn[nH]2)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H21N3O/c1-2-5-15(6-3-1)20(21-14-18-10-11-22-23-18)17-8-9-19-16(13-17)7-4-12-24-19/h1-3,5-6,8-11,13,20-21H,4,7,12,14H2,(H,22,23)
InChIKeyXTGOFGSIDKUNHZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 119125341) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID119125341
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESc1ccc(C(NCc2ccn[nH]2)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H21N3O/c1-2-5-15(6-3-1)20(21-14-18-10-11-22-23-18)17-8-9-19-16(13-17)7-4-12-24-19/h1-3,5-6,8-11,13,20-21H,4,7,12,14H2,(H,22,23)
InChIKeyXTGOFGSIDKUNHZ-UHFFFAOYSA-N
XLogP3.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[3,4-dihydro-2H-chromen-6-yl-(4-iodophenyl)methyl]ethanamine
CID 61027766
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128571002
N-[3,4-dihydro-2H-chromen-6-yl-(2-methylfuran-3-yl)methyl]ethanamine
CID 61026469
2-cyano-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]acetamide
CID 91648959
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320930
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
4-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]pentanamide
CID 120562483
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 119125341) is 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine is c1ccc(C(NCc2ccn[nH]2)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is XTGOFGSIDKUNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-5-15(6-3-1)20(21-14-18-10-11-22-23-18)17-8-9-19-16(13-17)7-4-12-24-19/h1-3,5-6,8-11,13,20-21H,4,7,12,14H2,(H,22,23).
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 319.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 119125341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).