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

C15H23NO — CID 113262002

IUPAC2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCc1ccc2c(c1)C(NC(C)C(C)CO)CC2
InChIInChI=1S/C15H23NO/c1-10-4-5-13-6-7-15(14(13)8-10)16-12(3)11(2)9-17/h4-5,8,11-12,15-17H,6-7,9H2,1-3H3
InChIKeyXPFWVMJNUPHZHA-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.59
Rot. Bonds4

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

2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (PubChem CID 113262002) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
PubChem CID113262002
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
SMILESCc1ccc2c(c1)C(NC(C)C(C)CO)CC2
InChIInChI=1S/C15H23NO/c1-10-4-5-13-6-7-15(14(13)8-10)16-12(3)11(2)9-17/h4-5,8,11-12,15-17H,6-7,9H2,1-3H3
InChIKeyXPFWVMJNUPHZHA-UHFFFAOYSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785190
6-methyl-N-(3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 81300726
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
4-methoxy-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 114210431
N-(1-cyclobutylethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 113348472
6-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79040850
3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 114176206
N-cyclopropyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 112696340
1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
CID 81327422
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956223
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol (CID 113262002) is 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is Cc1ccc2c(c1)C(NC(C)C(C)CO)CC2.
What is the InChIKey of 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
The InChIKey is XPFWVMJNUPHZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-4-5-13-6-7-15(14(13)8-10)16-12(3)11(2)9-17/h4-5,8,11-12,15-17H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol?
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol is sourced from PubChem (CID 113262002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).