(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C20H24ClNO — CID 171535583

IUPAC(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3N)cc1Cl
InChIInChI=1S/C20H24ClNO/c1-12(2)23-18-8-6-14(10-17(18)21)13-5-7-16-15(9-13)11-20(3,4)19(16)22/h5-10,12,19H,11,22H2,1-4H3/t19-/m0/s1
InChIKeyAJOOPSBLJVSBJY-IBGZPJMESA-N
MW329.87 g/mol
LogP5.38
Rot. Bonds3

About (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 171535583) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID171535583
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3N)cc1Cl
InChIInChI=1S/C20H24ClNO/c1-12(2)23-18-8-6-14(10-17(18)21)13-5-7-16-15(9-13)11-20(3,4)19(16)22/h5-10,12,19H,11,22H2,1-4H3/t19-/m0/s1
InChIKeyAJOOPSBLJVSBJY-IBGZPJMESA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 171535583) is (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CC(C)Oc1ccc(-c2ccc3c(c2)CC(C)(C)[C@H]3N)cc1Cl.
What is the InChIKey of (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is AJOOPSBLJVSBJY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClNO/c1-12(2)23-18-8-6-14(10-17(18)21)13-5-7-16-15(9-13)11-20(3,4)19(16)22/h5-10,12,19H,11,22H2,1-4H3/t19-/m0/s1.
What are the key properties of (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
(1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 329.87 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-(3-chloro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 171535583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).