6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine

C18H29NO2 — CID 114713104

IUPAC6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C(CC)CC)Oc2ccc(OC)cc21
InChIInChI=1S/C18H29NO2/c1-5-10-19-16-12-18(13(6-2)7-3)21-17-9-8-14(20-4)11-15(16)17/h8-9,11,13,16,18-19H,5-7,10,12H2,1-4H3
InChIKeyRTALVWIKQBBHMX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds7

About 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine

6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713104) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713104
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CC(C(CC)CC)Oc2ccc(OC)cc21
InChIInChI=1S/C18H29NO2/c1-5-10-19-16-12-18(13(6-2)7-3)21-17-9-8-14(20-4)11-15(16)17/h8-9,11,13,16,18-19H,5-7,10,12H2,1-4H3
InChIKeyRTALVWIKQBBHMX-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-methyl-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712917
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
6-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712931
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711441
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
3',6-dimethoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825146
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114713119
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 114713104) is 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CC(C(CC)CC)Oc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RTALVWIKQBBHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-10-19-16-12-18(13(6-2)7-3)21-17-9-8-14(20-4)11-15(16)17/h8-9,11,13,16,18-19H,5-7,10,12H2,1-4H3.
What are the key properties of 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).