(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol

C15H23NO — CID 143681540

IUPAC(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol
SMILESCc1ccc2c(c1)CCC([C@@](C)(N)CO)CC2
InChIInChI=1S/C15H23NO/c1-11-3-4-12-5-7-14(15(2,16)10-17)8-6-13(12)9-11/h3-4,9,14,17H,5-8,10,16H2,1-2H3/t14?,15-/m0/s1
InChIKeyALUXOWIUBGBVNT-LOACHALJSA-N
MW233.35 g/mol
LogP2.20
Rot. Bonds2

About (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol

(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol (PubChem CID 143681540) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol
PubChem CID143681540
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol
SMILESCc1ccc2c(c1)CCC([C@@](C)(N)CO)CC2
InChIInChI=1S/C15H23NO/c1-11-3-4-12-5-7-14(15(2,16)10-17)8-6-13(12)9-11/h3-4,9,14,17H,5-8,10,16H2,1-2H3/t14?,15-/m0/s1
InChIKeyALUXOWIUBGBVNT-LOACHALJSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol with MolForge

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Related Compounds

(2S)-2-amino-2-[(7S)-3-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]propan-1-ol
CID 71098235
2-amino-2-(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-1-ol
CID 25018299
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474757
2-(5-methyl-2,3-dihydro-1H-inden-2-yl)propan-2-amine
CID 105443946
2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol
CID 129386578
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 83908610
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
7-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 55264670
(1-tert-butyl-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057920
(3R)-1-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)pyrrolidin-3-ol
CID 90191116
ethane;1-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 142131877
N-ethyl-6-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 169040576

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol (CID 143681540) is (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol is Cc1ccc2c(c1)CCC([C@@](C)(N)CO)CC2.
What is the InChIKey of (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol?
The InChIKey is ALUXOWIUBGBVNT-LOACHALJSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-3-4-12-5-7-14(15(2,16)10-17)8-6-13(12)9-11/h3-4,9,14,17H,5-8,10,16H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol?
(2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propan-1-ol is sourced from PubChem (CID 143681540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).