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

C18H27NO2 — CID 79370226

IUPAC1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1ccc2c(c1)C(NCC1(O)CCC(C)CC1)CC2
InChIInChI=1S/C18H27NO2/c1-13-7-9-18(20,10-8-13)12-19-17-6-4-14-3-5-15(21-2)11-16(14)17/h3,5,11,13,17,19-20H,4,6-10,12H2,1-2H3
InChIKeyRALPEGQLZZKANK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.21
Rot. Bonds4

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

1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 79370226) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID79370226
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCOc1ccc2c(c1)C(NCC1(O)CCC(C)CC1)CC2
InChIInChI=1S/C18H27NO2/c1-13-7-9-18(20,10-8-13)12-19-17-6-4-14-3-5-15(21-2)11-16(14)17/h3,5,11,13,17,19-20H,4,6-10,12H2,1-2H3
InChIKeyRALPEGQLZZKANK-UHFFFAOYSA-N
XLogP3.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107269775
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
7-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107269889
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropane-1,2-diol
CID 79366778
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol (CID 79370226) is 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol is COc1ccc2c(c1)C(NCC1(O)CCC(C)CC1)CC2.
What is the InChIKey of 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is RALPEGQLZZKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-7-9-18(20,10-8-13)12-19-17-6-4-14-3-5-15(21-2)11-16(14)17/h3,5,11,13,17,19-20H,4,6-10,12H2,1-2H3.
What are the key properties of 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol?
1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 79370226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).