7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine

C18H29NO3 — CID 82462059

IUPAC7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCNC1CC(C)(C)Oc2c1ccc(OC)c2OC
InChIInChI=1S/C18H29NO3/c1-6-7-8-11-19-14-12-18(2,3)22-16-13(14)9-10-15(20-4)17(16)21-5/h9-10,14,19H,6-8,11-12H2,1-5H3
InChIKeyIHPGORUOECPCTQ-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.09
Rot. Bonds7

About 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine

7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine (PubChem CID 82462059) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
PubChem CID82462059
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCNC1CC(C)(C)Oc2c1ccc(OC)c2OC
InChIInChI=1S/C18H29NO3/c1-6-7-8-11-19-14-12-18(2,3)22-16-13(14)9-10-15(20-4)17(16)21-5/h9-10,14,19H,6-8,11-12H2,1-5H3
InChIKeyIHPGORUOECPCTQ-UHFFFAOYSA-N
XLogP4.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7,8-dimethoxy-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 82462055
N-ethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64696643
N-hexyl-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82461769
8-methoxy-2,2,6-trimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64696641
7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 116689692
6-ethoxy-N-hexyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82461979
2-ethyl-7,8-dimethoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 82462392
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N,6-diethyl-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107667295
5-butoxy-N-butyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462052
6-methoxy-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64698499
N-butyl-2,2-dimethyl-6-propoxy-3,4-dihydrochromen-4-amine
CID 82461986

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine (CID 82462059) is 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine is CCCCCNC1CC(C)(C)Oc2c1ccc(OC)c2OC.
What is the InChIKey of 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine?
The InChIKey is IHPGORUOECPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-7-8-11-19-14-12-18(2,3)22-16-13(14)9-10-15(20-4)17(16)21-5/h9-10,14,19H,6-8,11-12H2,1-5H3.
What are the key properties of 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine?
7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine has a molecular weight of 307.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2,2-dimethyl-N-pentyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 82462059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).