3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol

C12H17NO — CID 3030975

IUPAC3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
SMILESOCCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H17NO/c14-7-3-6-13-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-14H,3,6-9H2
InChIKeyIZZVGPBQQPTFLO-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.13
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol

3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol (PubChem CID 3030975) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
PubChem CID3030975
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
SMILESOCCCNC1Cc2ccccc2C1
InChIInChI=1S/C12H17NO/c14-7-3-6-13-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-14H,3,6-9H2
InChIKeyIZZVGPBQQPTFLO-UHFFFAOYSA-N
XLogP1.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.13
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-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
3-(2,3-dihydro-1H-inden-2-ylamino)propanenitrile
CID 3030894
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 15061903

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol (CID 3030975) is 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol is OCCCNC1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol?
The InChIKey is IZZVGPBQQPTFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-7-3-6-13-12-8-10-4-1-2-5-11(10)9-12/h1-2,4-5,12-14H,3,6-9H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol?
3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol is sourced from PubChem (CID 3030975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).