(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine

C13H19NO2 — CID 7287154

IUPAC(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCCN[C@@H]1CCOc2ccccc21
InChIInChI=1S/C13H19NO2/c1-15-9-4-8-14-12-7-10-16-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10H2,1H3/t12-/m1/s1
InChIKeyFTPVIPPRGOQALE-GFCCVEGCSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds5

About (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 7287154) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID7287154
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOCCCN[C@@H]1CCOc2ccccc21
InChIInChI=1S/C13H19NO2/c1-15-9-4-8-14-12-7-10-16-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10H2,1H3/t12-/m1/s1
InChIKeyFTPVIPPRGOQALE-GFCCVEGCSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
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

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 43206794
N-(4-methoxybutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 115709754
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxypropyl)thiourea
CID 115571169
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine (CID 7287154) is (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine is COCCCN[C@@H]1CCOc2ccccc21.
What is the InChIKey of (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FTPVIPPRGOQALE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-4-8-14-12-7-10-16-13-6-3-2-5-11(12)13/h2-3,5-6,12,14H,4,7-10H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 7287154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).