N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine

C19H23NO — CID 61027484

IUPACN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H23NO/c1-2-12-20-19(15-7-4-3-5-8-15)17-10-11-18-16(14-17)9-6-13-21-18/h3-5,7-8,10-11,14,19-20H,2,6,9,12-13H2,1H3
InChIKeyYRUHGILKHMFCCD-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.10
Rot. Bonds5

About N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine (PubChem CID 61027484) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
PubChem CID61027484
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C19H23NO/c1-2-12-20-19(15-7-4-3-5-8-15)17-10-11-18-16(14-17)9-6-13-21-18/h3-5,7-8,10-11,14,19-20H,2,6,9,12-13H2,1H3
InChIKeyYRUHGILKHMFCCD-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691303
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
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
1-(3,4-dihydro-2H-chromen-6-yl)-1-phenyl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 119125341
6-[(S)-(dimethylsulfamoylamino)-phenylmethyl]-3,4-dihydro-2H-chromene
CID 164630860
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
CID 63503431
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-1-methylcyclopropane-1-sulfonamide
CID 128571002
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105180181

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine (CID 61027484) is N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine is CCCNC(c1ccccc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine?
The InChIKey is YRUHGILKHMFCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-12-20-19(15-7-4-3-5-8-15)17-10-11-18-16(14-17)9-6-13-21-18/h3-5,7-8,10-11,14,19-20H,2,6,9,12-13H2,1H3.
What are the key properties of N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine is sourced from PubChem (CID 61027484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).