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

C18H21NO — CID 61032927

IUPAC1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C18H21NO/c1-2-17(19)15-6-3-5-13(11-15)14-8-9-18-16(12-14)7-4-10-20-18/h3,5-6,8-9,11-12,17H,2,4,7,10,19H2,1H3
InChIKeySHVCLPFBVDMGJG-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.09
Rot. Bonds3

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

1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine (PubChem CID 61032927) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine
PubChem CID61032927
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine
SMILESCCC(N)c1cccc(-c2ccc3c(c2)CCCO3)c1
InChIInChI=1S/C18H21NO/c1-2-17(19)15-6-3-5-13(11-15)14-8-9-18-16(12-14)7-4-10-20-18/h3,5-6,8-9,11-12,17H,2,4,7,10,19H2,1H3
InChIKeySHVCLPFBVDMGJG-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
1-[3-(2,2-dimethyl-3H-1-benzofuran-5-yl)phenyl]propan-1-amine
CID 62326891
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 107289774
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine (CID 61032927) is 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine is CCC(N)c1cccc(-c2ccc3c(c2)CCCO3)c1.
What is the InChIKey of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine?
The InChIKey is SHVCLPFBVDMGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-17(19)15-6-3-5-13(11-15)14-8-9-18-16(12-14)7-4-10-20-18/h3,5-6,8-9,11-12,17H,2,4,7,10,19H2,1H3.
What are the key properties of 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine?
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]propan-1-amine is sourced from PubChem (CID 61032927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).