(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

C14H21NO — CID 103922391

IUPAC(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCC[C@H](CO)NC1CCc2cc(C)ccc21
InChIInChI=1S/C14H21NO/c1-3-12(9-16)15-14-7-5-11-8-10(2)4-6-13(11)14/h4,6,8,12,14-16H,3,5,7,9H2,1-2H3/t12-,14?/m1/s1
InChIKeyIBQBSEWZGJMYAD-PUODRLBUSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds4

About (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol

(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 103922391) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID103922391
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCC[C@H](CO)NC1CCc2cc(C)ccc21
InChIInChI=1S/C14H21NO/c1-3-12(9-16)15-14-7-5-11-8-10(2)4-6-13(11)14/h4,6,8,12,14-16H,3,5,7,9H2,1-2H3/t12-,14?/m1/s1
InChIKeyIBQBSEWZGJMYAD-PUODRLBUSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol with MolForge

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Related Compounds

(2S)-2-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 104980476
N-butan-2-yl-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115705716
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 114210431
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
N-(2-chloroprop-2-enyl)-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 115891128
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 103922391) is (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is CC[C@H](CO)NC1CCc2cc(C)ccc21.
What is the InChIKey of (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is IBQBSEWZGJMYAD-PUODRLBUSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12(9-16)15-14-7-5-11-8-10(2)4-6-13(11)14/h4,6,8,12,14-16H,3,5,7,9H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
(2R)-2-[(5-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, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 103922391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).