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

C14H21NO — CID 106840528

IUPAC4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCc1ccc2c(c1)C(NCCCCO)CC2
InChIInChI=1S/C14H21NO/c1-11-4-5-12-6-7-14(13(12)10-11)15-8-2-3-9-16/h4-5,10,14-16H,2-3,6-9H2,1H3
InChIKeyWJUZBXNUCKMTEP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds5

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

4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 106840528) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID106840528
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCc1ccc2c(c1)C(NCCCCO)CC2
InChIInChI=1S/C14H21NO/c1-11-4-5-12-6-7-14(13(12)10-11)15-8-2-3-9-16/h4-5,10,14-16H,2-3,6-9H2,1H3
InChIKeyWJUZBXNUCKMTEP-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
3-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781987
5-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]pentanamide
CID 114161832
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
6-methyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 81301273
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113261344
6-methyl-N-(3-methylsulfanylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 115716161
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]hexan-1-ol
CID 103787436
5-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-1-ol
CID 107303158

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 106840528) is 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is Cc1ccc2c(c1)C(NCCCCO)CC2.
What is the InChIKey of 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is WJUZBXNUCKMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-5-12-6-7-14(13(12)10-11)15-8-2-3-9-16/h4-5,10,14-16H,2-3,6-9H2,1H3.
What are the key properties of 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 106840528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).