4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol

C18H21NO — CID 71369040

IUPAC4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
SMILESC[C@H](Cc1ccc(O)cc1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-13(10-14-6-8-18(20)9-7-14)19-17-11-15-4-2-3-5-16(15)12-17/h2-9,13,17,19-20H,10-12H2,1H3/t13-/m1/s1
InChIKeyKEEDRLMBBBLNDD-CYBMUJFWSA-N
MW267.37 g/mol
LogP3.08
Rot. Bonds4

About 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol

4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol (PubChem CID 71369040) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
PubChem CID71369040
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
SMILESC[C@H](Cc1ccc(O)cc1)NC1Cc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-13(10-14-6-8-18(20)9-7-14)19-17-11-15-4-2-3-5-16(15)12-17/h2-9,13,17,19-20H,10-12H2,1H3/t13-/m1/s1
InChIKeyKEEDRLMBBBLNDD-CYBMUJFWSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93092975
2-N-(2,3-dihydro-1H-inden-2-yl)propane-1,2-diamine
CID 107850036
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
CID 78943354
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
CID 114122743
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
CID 103830749
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 104537653
(2S)-2-(2,3-dihydro-1H-inden-2-ylamino)-3-phenylpropan-1-ol
CID 102613736
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
CID 114009131

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol?
The IUPAC name of 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol (CID 71369040) is 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol is C[C@H](Cc1ccc(O)cc1)NC1Cc2ccccc2C1.
What is the InChIKey of 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol?
The InChIKey is KEEDRLMBBBLNDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(10-14-6-8-18(20)9-7-14)19-17-11-15-4-2-3-5-16(15)12-17/h2-9,13,17,19-20H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol?
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol is sourced from PubChem (CID 71369040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).