(3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol

C21H27NO — CID 97107045

IUPAC(3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol
SMILESCC(C)(CO)[C@H](CNC1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-21(2,15-23)20(16-8-4-3-5-9-16)14-22-19-12-17-10-6-7-11-18(17)13-19/h3-11,19-20,22-23H,12-15H2,1-2H3/t20-/m1/s1
InChIKeySBMQZHDYLGKDCH-HXUWFJFHSA-N
MW309.45 g/mol
LogP3.55
Rot. Bonds6

About (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol

(3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol (PubChem CID 97107045) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol.

Molecular Properties

Compound Name(3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol
PubChem CID97107045
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol
SMILESCC(C)(CO)[C@H](CNC1Cc2ccccc2C1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-21(2,15-23)20(16-8-4-3-5-9-16)14-22-19-12-17-10-6-7-11-18(17)13-19/h3-11,19-20,22-23H,12-15H2,1-2H3/t20-/m1/s1
InChIKeySBMQZHDYLGKDCH-HXUWFJFHSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol with MolForge

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Related Compounds

Bicyclo(2.2.1)heptan-2-ylmethanamine hydrochloride
CID 135027
2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 2809736
Drobuline
CID 60890
L-alpha-Normethadol
CID 12341789
(3R,6S)-6-(methylamino)-4,4-diphenylheptan-3-ol
CID 92135738
(3S,6R)-Nml
CID 92135739
(3R,6R)-6-(methylamino)-4,4-diphenylheptan-3-ol
CID 92135740
(2R)-2-(9H-fluoren-9-ylamino)butan-1-ol
CID 28723501
10,13-dimethyl-17-[1-(2-phenylethylamino)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 44265421
(6S)-6-(methylamino)-4,4-diphenylheptan-3-ol
CID 44374686
(6R)-6-(methylamino)-4,4-diphenylheptan-3-ol
CID 44374957
4-[(2,3-dihydro-1H-inden-2-yl)amino]cyclohexan-1-ol
CID 30983794

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol?
The IUPAC name of (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol (CID 97107045) is (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol.
What is the SMILES notation for (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol?
The canonical SMILES for (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol is CC(C)(CO)[C@H](CNC1Cc2ccccc2C1)c1ccccc1.
What is the InChIKey of (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol?
The InChIKey is SBMQZHDYLGKDCH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO/c1-21(2,15-23)20(16-8-4-3-5-9-16)14-22-19-12-17-10-6-7-11-18(17)13-19/h3-11,19-20,22-23H,12-15H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol?
(3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,3-dihydro-1H-inden-2-ylamino)-2,2-dimethyl-3-phenylbutan-1-ol is sourced from PubChem (CID 97107045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).