4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine

C15H23NO3 — CID 98017830

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine
SMILESCOC(CCCN)(OC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H23NO3/c1-17-15(18-2,8-4-9-16)13-6-7-14-12(11-13)5-3-10-19-14/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyMNAQPDAWBYWZHE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.20
Rot. Bonds6

About 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine

4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine (PubChem CID 98017830) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine
PubChem CID98017830
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine
SMILESCOC(CCCN)(OC)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H23NO3/c1-17-15(18-2,8-4-9-16)13-6-7-14-12(11-13)5-3-10-19-14/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyMNAQPDAWBYWZHE-UHFFFAOYSA-N
XLogP2.20
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,3-dimethoxypropan-1-amine
CID 94695521
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195630
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
2-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropan-2-amine
CID 82470188
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
CID 116841059
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
N'-(3,4-dihydro-2H-chromen-6-yl)butane-1,4-diamine
CID 115201022
3-(3,4-dihydro-2H-chromen-6-ylsulfonyl)propan-1-amine
CID 116853275

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine (CID 98017830) is 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine is COC(CCCN)(OC)c1ccc2c(c1)CCCO2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine?
The InChIKey is MNAQPDAWBYWZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-15(18-2,8-4-9-16)13-6-7-14-12(11-13)5-3-10-19-14/h6-7,11H,3-5,8-10,16H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine?
4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine is sourced from PubChem (CID 98017830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).