N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine

C15H23NO2 — CID 115756534

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-17-10-5-4-9-16-12-13-8-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,13,16H,4-5,8-12H2,1H3
InChIKeyMTLSSFVWMOPDSH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.57
Rot. Bonds7

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine (PubChem CID 115756534) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
PubChem CID115756534
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
SMILESCOCCCCNCC1CCOc2ccccc21
InChIInChI=1S/C15H23NO2/c1-17-10-5-4-9-16-12-13-8-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,13,16H,4-5,8-12H2,1H3
InChIKeyMTLSSFVWMOPDSH-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4,4,4-trifluorobutan-1-amine
CID 115757039
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768885
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-[2-(3,4-dihydro-2H-chromen-4-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115756467
(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 104772468

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine (CID 115756534) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine is COCCCCNCC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine?
The InChIKey is MTLSSFVWMOPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-10-5-4-9-16-12-13-8-11-18-15-7-3-2-6-14(13)15/h2-3,6-7,13,16H,4-5,8-12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine is sourced from PubChem (CID 115756534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).