1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine

C17H27NO — CID 114745351

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc2c1OCCC2)C(C)CC
InChIInChI=1S/C17H27NO/c1-4-11-18-16(13(3)5-2)15-10-6-8-14-9-7-12-19-17(14)15/h6,8,10,13,16,18H,4-5,7,9,11-12H2,1-3H3
InChIKeyFRUSLNBJDNABQS-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine

1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 114745351) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID114745351
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cccc2c1OCCC2)C(C)CC
InChIInChI=1S/C17H27NO/c1-4-11-18-16(13(3)5-2)15-10-6-8-14-9-7-12-19-17(14)15/h6,8,10,13,16,18H,4-5,7,9,11-12H2,1-3H3
InChIKeyFRUSLNBJDNABQS-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
N-[cyclopentyl(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 114745087
1-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114745113
N-[3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 114745074
1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114746254
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxy-N-propylbutan-1-amine
CID 114745447
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methoxybutyl]hydrazine
CID 105270858
N-[3,4-dihydro-2H-chromen-8-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105187275
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
N-[(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methyl]propan-1-amine
CID 105187326
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine (CID 114745351) is 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cccc2c1OCCC2)C(C)CC.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is FRUSLNBJDNABQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-11-18-16(13(3)5-2)15-10-6-8-14-9-7-12-19-17(14)15/h6,8,10,13,16,18H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 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-8-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114745351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).