4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

C14H21NO2 — CID 106840756

IUPAC4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCOc1ccc2c(c1)C(NCCCCO)CC2
InChIInChI=1S/C14H21NO2/c1-17-12-6-4-11-5-7-14(13(11)10-12)15-8-2-3-9-16/h4,6,10,14-16H,2-3,5,7-9H2,1H3
InChIKeyARAMVXCORYTHQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.04
Rot. Bonds6

About 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 106840756) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID106840756
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCOc1ccc2c(c1)C(NCCCCO)CC2
InChIInChI=1S/C14H21NO2/c1-17-12-6-4-11-5-7-14(13(11)10-12)15-8-2-3-9-16/h4,6,10,14-16H,2-3,5,7-9H2,1H3
InChIKeyARAMVXCORYTHQZ-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
CID 79366778
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 106840756) is 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is COc1ccc2c(c1)C(NCCCCO)CC2.
What is the InChIKey of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is ARAMVXCORYTHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-12-6-4-11-5-7-14(13(11)10-12)15-8-2-3-9-16/h4,6,10,14-16H,2-3,5,7-9H2,1H3.
What are the key properties of 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 106840756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).