(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 104980348

IUPAC(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(CC(C)C)(CC(C)C)O2
InChIInChI=1S/C18H29NO2/c1-12(2)9-18(10-13(3)4)11-16(19)15-8-14(20-5)6-7-17(15)21-18/h6-8,12-13,16H,9-11,19H2,1-5H3/t16-/m1/s1
InChIKeyKIZRPANNEUEJRO-MRXNPFEDSA-N
MW291.44 g/mol
LogP4.31
Rot. Bonds5

About (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine

(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 104980348) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID104980348
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(CC(C)C)(CC(C)C)O2
InChIInChI=1S/C18H29NO2/c1-12(2)9-18(10-13(3)4)11-16(19)15-8-14(20-5)6-7-17(15)21-18/h6-8,12-13,16H,9-11,19H2,1-5H3/t16-/m1/s1
InChIKeyKIZRPANNEUEJRO-MRXNPFEDSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-ethyl-6-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104946814
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
6-methoxy-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 114715296
2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114708780
(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944803
(4S)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944611
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
(4S)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946840
(4R)-6-methoxy-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947047
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 104980348) is (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine is COc1ccc2c(c1)[C@H](N)CC(CC(C)C)(CC(C)C)O2.
What is the InChIKey of (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is KIZRPANNEUEJRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)9-18(10-13(3)4)11-16(19)15-8-14(20-5)6-7-17(15)21-18/h6-8,12-13,16H,9-11,19H2,1-5H3/t16-/m1/s1.
What are the key properties of (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine?
(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104980348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).