(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine

C17H24ClN — CID 142361154

IUPAC(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine
SMILESCC(C)(C)[C@@H]1CCc2c1ccc(Cl)c2NCC1CC1
InChIInChI=1S/C17H24ClN/c1-17(2,3)14-8-6-13-12(14)7-9-15(18)16(13)19-10-11-4-5-11/h7,9,11,14,19H,4-6,8,10H2,1-3H3/t14-/m1/s1
InChIKeyNZYGOANDFFXMRB-CQSZACIVSA-N
MW277.84 g/mol
LogP5.24
Rot. Bonds3

About (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine

(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 142361154) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID142361154
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine
SMILESCC(C)(C)[C@@H]1CCc2c1ccc(Cl)c2NCC1CC1
InChIInChI=1S/C17H24ClN/c1-17(2,3)14-8-6-13-12(14)7-9-15(18)16(13)19-10-11-4-5-11/h7,9,11,14,19H,4-6,8,10H2,1-3H3/t14-/m1/s1
InChIKeyNZYGOANDFFXMRB-CQSZACIVSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.84
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine (CID 142361154) is (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine is CC(C)(C)[C@@H]1CCc2c1ccc(Cl)c2NCC1CC1.
What is the InChIKey of (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is NZYGOANDFFXMRB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24ClN/c1-17(2,3)14-8-6-13-12(14)7-9-15(18)16(13)19-10-11-4-5-11/h7,9,11,14,19H,4-6,8,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine?
(1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 277.84 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-tert-butyl-5-chloro-N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 142361154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).