3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol

C14H21NO3 — CID 79366778

IUPAC3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
SMILESCOc1ccc2c(c1)C(NCC(C)(O)CO)CC2
InChIInChI=1S/C14H21NO3/c1-14(17,9-16)8-15-13-6-4-10-3-5-11(18-2)7-12(10)13/h3,5,7,13,15-17H,4,6,8-9H2,1-2H3
InChIKeyNZCBDRNLMQHSLP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds5

About 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol

3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 79366778) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
PubChem CID79366778
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
SMILESCOc1ccc2c(c1)C(NCC(C)(O)CO)CC2
InChIInChI=1S/C14H21NO3/c1-14(17,9-16)8-15-13-6-4-10-3-5-11(18-2)7-12(10)13/h3,5,7,13,15-17H,4,6,8-9H2,1-2H3
InChIKeyNZCBDRNLMQHSLP-UHFFFAOYSA-N
XLogP1.02
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
6-methoxy-N-(2-methyl-2-methylsulfonylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79551905
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
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
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol (CID 79366778) is 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol is COc1ccc2c(c1)C(NCC(C)(O)CO)CC2.
What is the InChIKey of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is NZCBDRNLMQHSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(17,9-16)8-15-13-6-4-10-3-5-11(18-2)7-12(10)13/h3,5,7,13,15-17H,4,6,8-9H2,1-2H3.
What are the key properties of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol?
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 251.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 79366778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).