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

C18H21NO — CID 103781821

IUPAC[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
SMILESCc1ccc2c(c1)C(NCc1cccc(CO)c1)CC2
InChIInChI=1S/C18H21NO/c1-13-5-6-16-7-8-18(17(16)9-13)19-11-14-3-2-4-15(10-14)12-20/h2-6,9-10,18-20H,7-8,11-12H2,1H3
InChIKeyBYVQVDUDSLJZIW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.26
Rot. Bonds4

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

[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol (PubChem CID 103781821) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
PubChem CID103781821
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
SMILESCc1ccc2c(c1)C(NCc1cccc(CO)c1)CC2
InChIInChI=1S/C18H21NO/c1-13-5-6-16-7-8-18(17(16)9-13)19-11-14-3-2-4-15(10-14)12-20/h2-6,9-10,18-20H,7-8,11-12H2,1H3
InChIKeyBYVQVDUDSLJZIW-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

1-[3-[[[(1S)-6-methyl-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]azetidin-2-one
CID 100716716
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81333353
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948037
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78948023
[3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]phenyl]methanol
CID 103781819
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78948024
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948041

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol (CID 103781821) is [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol is Cc1ccc2c(c1)C(NCc1cccc(CO)c1)CC2.
What is the InChIKey of [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
The InChIKey is BYVQVDUDSLJZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-5-6-16-7-8-18(17(16)9-13)19-11-14-3-2-4-15(10-14)12-20/h2-6,9-10,18-20H,7-8,11-12H2,1H3.
What are the key properties of [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol?
[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol has a molecular weight of 267.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 103781821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).