(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

C20H26ClNO — CID 18661299

IUPAC(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN[C@H]1Cc2ccccc2[C@H]1Oc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-20(2,3)15-9-11-16(12-10-15)22-19-17-8-6-5-7-14(17)13-18(19)21-4;/h5-12,18-19,21H,13H2,1-4H3;1H/t18-,19+;/m0./s1
InChIKeyOZAKGXWIQZNMJL-GRTNUQQKSA-N
MW331.89 g/mol
LogP4.67
Rot. Bonds3

About (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride

(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 18661299) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID18661299
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC Name(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCN[C@H]1Cc2ccccc2[C@H]1Oc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C20H25NO.ClH/c1-20(2,3)15-9-11-16(12-10-15)22-19-17-8-6-5-7-14(17)13-18(19)21-4;/h5-12,18-19,21H,13H2,1-4H3;1H/t18-,19+;/m0./s1
InChIKeyOZAKGXWIQZNMJL-GRTNUQQKSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 70068488
(1R,2S)-1-[4-(4-fluorophenoxy)phenoxy]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 139710561
N-methyl-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075628
(4-fluorophenyl)-[4-[[(1R,2S)-2-(methylamino)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methanone;hydrochloride
CID 70069436
N-methyl-1-(3-phenylphenoxy)-2,3-dihydro-1H-inden-2-amine
CID 19075653
tert-butyl N-[(1S,2R)-1-(4-phenylmethoxyphenoxy)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 67647320
(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
CID 71027765
(1R,2R)-N-(cyclopropylmethyl)-1-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenoxy]-2,3-dihydro-1H-inden-2-amine
CID 163485657
(1S,2R)-1-[(4-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 67652206
1-benzyl-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 23203044
2-[(4-tert-butylphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547457
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 18661299) is (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is CN[C@H]1Cc2ccccc2[C@H]1Oc1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is OZAKGXWIQZNMJL-GRTNUQQKSA-N. The full InChI is InChI=1S/C20H25NO.ClH/c1-20(2,3)15-9-11-16(12-10-15)22-19-17-8-6-5-7-14(17)13-18(19)21-4;/h5-12,18-19,21H,13H2,1-4H3;1H/t18-,19+;/m0./s1.
What are the key properties of (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-tert-butylphenoxy)-N-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 18661299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).