1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine

C16H25NO — CID 113451314

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CC1CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-3-10-17-14(4-2)12-13-9-11-18-16-8-6-5-7-15(13)16/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyHEVFXUHEKAQLLJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.72
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine (PubChem CID 113451314) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
PubChem CID113451314
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)CC1CCOc2ccccc21
InChIInChI=1S/C16H25NO/c1-3-10-17-14(4-2)12-13-9-11-18-16-8-6-5-7-15(13)16/h5-8,13-14,17H,3-4,9-12H2,1-2H3
InChIKeyHEVFXUHEKAQLLJ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715910
N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 104770542
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine (CID 113451314) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine is CCCNC(CC)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine?
The InChIKey is HEVFXUHEKAQLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-17-14(4-2)12-13-9-11-18-16-8-6-5-7-15(13)16/h5-8,13-14,17H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 113451314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).